Geometry & MOs

Info

ID:	64335
PubChem CID:	29199181
Reduced:	FN2O6C25H27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	499.18894
ΔH_f, kcal/mol:	-204.36
Dipole, Da:	6.83
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N'-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]-2-methylbenzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N(C)CCC#N)OCCOC2=CC=C(C=C2)F

DOS

IR

Vibrations