Geometry & MOs

Info

ID:	37714
PubChem CID:	8023490
Reduced:	N2S2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-33.49
Dipole, Da:	5.87
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(propylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)COC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CS4

DOS

IR

Vibrations