Geometry & MOs

Info

ID:	126969
PubChem CID:	50985871
Reduced:	SN3O6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	469.176834
ΔH_f, kcal/mol:	-215.45
Dipole, Da:	4.45
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-1-(3-chlorobenzoyl)pyrrolidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)NCC4=CC(=CC=C4)OC)OC

DOS

IR

Vibrations