Geometry & MOs

Info

ID:	175410
PubChem CID:	75899935
Reduced:	S2O3N6C19H21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	435.138341
ΔH_f, kcal/mol:	22.53
Dipole, Da:	7.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940117
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NC(=NN2)N=C(C(CCSC)NS(=O)(=O)C3=CC=CC=C3)[O-]

DOS

IR

Vibrations