Geometry & MOs

Info

ID:

186779

PubChem CID:

77480997

Reduced:

SO6N10C32H44 (1)

Stoich.:

AB6C10D32E44 (1)

Weight, g/mol:

624.343547

ΔHf, kcal/mol:

-194.74

Dipole, Da:

4.28

IP(EA), eV:

 -8.9(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl N-[2-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,1-dimethyl-4-(2-methyl-3,4-dihydropyrazol-4-yl)-3-oxopyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CN4C=C(N=C4S3)C5=NCC(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations