Geometry & MOs

Info

ID:	165770
PubChem CID:	74595778
Reduced:	S2O3N4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754612
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)CC2=CC=CC=C2)N)C(=O)CSC(=S)N3CCCC3

DOS

IR

Vibrations