Geometry & MOs

Info

ID:	157949
PubChem CID:	56459338
Reduced:	SN2O2C26H30 (1)
Stoich.:	AB2C2D26E30 (1)
Weight, g/mol:	400.171082
ΔH_f, kcal/mol:	-20.77
Dipole, Da:	5.2
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations