Geometry & MOs

Info

ID:	38235
PubChem CID:	8028365
Reduced:	ClNO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-171.29
Dipole, Da:	6.23
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methoxyphenyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@@H](C)C(=O)NC[C@H](C3=CC=CC=C3)O

DOS

IR

Vibrations