Geometry & MOs

Info

ID:	153653
PubChem CID:	56312939
Reduced:	FO2N5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	496.123898
ΔH_f, kcal/mol:	-26.01
Dipole, Da:	1.56
IP(EA), eV:	-8.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations