Geometry & MOs

Info

ID:	327271
PubChem CID:	126689377
Reduced:	FSN5O6C25H28 (1)
Stoich.:	ABC5D6E25F28 (1)
Weight, g/mol:	514.219175
ΔH_f, kcal/mol:	-153.12
Dipole, Da:	2.41
IP(EA), eV:	-9.37(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#CC3CCC(C3)NC(=O)CN)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations