Geometry & MOs

Info

ID:	188937
PubChem CID:	77787217
Reduced:	OSN3C20H29 (1)
Stoich.:	ABC3D20E29 (1)
Weight, g/mol:	623.255084
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	5.6
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[benzyl-[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-hydroxypropyl]phenoxy]-N-propylquinoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1)SC2=CC=C(C=C2)C(=O)NC3C(N4CCC3CC4)C

DOS

IR

Vibrations