Geometry & MOs

Info

ID:	302446
PubChem CID:	124361761
Reduced:	FO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	448.163436
ΔH_f, kcal/mol:	-167.3
Dipole, Da:	4.32
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'S,3'R,10'bR)-3'-acetyl-2'-(4-methoxyphenyl)-2,2-dimethylspiro[1,3-dioxane-5,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]phthalazine]-4,6-dione

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

CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)N

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

CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):