Geometry & MOs

Info

ID:	448612
PubChem CID:	135292231
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	527.256626
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	3.61
IP(EA), eV:	-9.27(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-cyano-6-cyclopropyl-5-[3-(methanesulfonamidomethyl)phenyl]-4-methylpyridin-2-yl]-(4-methoxybutyl)amino]propan-2-yl]formamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C2=NC(=C(C=C2C#N)N=O)C3CC3

DOS

IR

Vibrations