Geometry & MOs

Info

ID:	304999
PubChem CID:	124766412
Reduced:	FO5N6C28H33 (1)
Stoich.:	AB5C6D28E33 (1)
Weight, g/mol:	552.249646
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	1.74
IP(EA), eV:	-8.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

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):