Geometry & MOs

Info

ID:	305000
PubChem CID:	124766413
Reduced:	FO5N6C28H33 (1)
Stoich.:	AB5C6D28E33 (1)
Weight, g/mol:	486.179087
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	6.82
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aS)-3-[(4-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N(C[C@@H]3CCCO3)[C@@H](C4=CC=C(C=C4)F)C(=O)NC[C@H]5CCCO5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N(C[C@@H]3CCCO3)[C@@H](C4=CC=C(C=C4)F)C(=O)NC[C@H]5CCCO5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):