Geometry & MOs

Info

ID:	195788
PubChem CID:	78732380
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	406.131091
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	6.74
IP(EA), eV:	-8.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)C=CSC3=CC=CC=C3

DOS

IR

Vibrations