Geometry & MOs

Info

ID:	422743
PubChem CID:	135118334
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-54.19
Dipole, Da:	4.71
IP(EA), eV:	-8.41(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N'-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanediamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)SC)N3CCCC4(CC3)CNC(=O)O4

DOS

IR

Vibrations