Geometry & MOs

Info

ID:	419244
PubChem CID:	135107819
Reduced:	SN4O4C18H32 (1)
Stoich.:	AB4C4D18E32 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-215.94
Dipole, Da:	5.24
IP(EA), eV:	-8.68(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)CSC)C(C)C

DOS

IR

Vibrations