Geometry & MOs

Info

ID:	142902
PubChem CID:	53112181
Reduced:	ClO2N3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	428.063127
ΔH_f, kcal/mol:	15.4
Dipole, Da:	3.83
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methoxyphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)Cl

DOS

IR

Vibrations