Geometry & MOs

Info

ID:	346605
PubChem CID:	127271109
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	2.18
IP(EA), eV:	-9.54(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methylphenyl)sulfonyl-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)NC(C)CC3CCCO3

DOS

IR

Vibrations