Geometry & MOs

Info

ID:	126968
PubChem CID:	50985867
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	515.209007
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	7.84
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H]2CCCN2C(=O)C3=CC=CC=C3)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations