Geometry & MOs

Info

ID:	59998
PubChem CID:	26661904
Reduced:	BrSO2N6C19H21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	2.48
Dipole, Da:	8.12
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-2-phenylbutyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CC2=C(N3C(=NC(=N3)SC)N=C2C)C

DOS

IR

Vibrations