Geometry & MOs

Info

ID:	244519
PubChem CID:	99358106
Reduced:	SO4N5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	366.04015
ΔH_f, kcal/mol:	-124.68
Dipole, Da:	10.68
IP(EA), eV:	-7.89(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations