Geometry & MOs

Info

ID:	430860
PubChem CID:	135170927
Reduced:	SO2N6C23H26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	-3.11
Dipole, Da:	10.95
IP(EA), eV:	-8.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1[C@@H](NC\2=C3C1=CSC3=NC(=O)/C2=C\4/NC5=C(N4)C=C(C=C5)N6CCN(CC6)C)CO

DOS

IR

Vibrations