Geometry & MOs

Info

ID:	31743
PubChem CID:	3288093
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	414.126569
ΔH_f, kcal/mol:	-97.78
Dipole, Da:	4.99
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3,5-dichlorobenzamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations