Geometry & MOs

Info

ID:	418455
PubChem CID:	135104917
Reduced:	SN4O5C16H22 (1)
Stoich.:	AB4C5D16E22 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-131.87
Dipole, Da:	2.86
IP(EA), eV:	-9.97(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations