Geometry & MOs

Info

ID:	238320
PubChem CID:	92729985
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-145.31
Dipole, Da:	8.91
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC[C@@H]3C(=O)NC(C)C

DOS

IR

Vibrations