Geometry & MOs

Info

ID:	416571
PubChem CID:	135089696
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-188.04
Dipole, Da:	3.46
IP(EA), eV:	-8.94(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-4-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)CO

DOS

IR

Vibrations