Geometry & MOs

Info

ID:	420793
PubChem CID:	135114817
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	4.86
IP(EA), eV:	-8.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations