Geometry & MOs

Info

ID:	135866
PubChem CID:	51951462
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	412.174454
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	2.46
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)[C@H](C2=CC=C(C=C2)F)NC(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations