Geometry & MOs

Info

ID:	196934
PubChem CID:	78898582
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	317.00851
ΔH_f, kcal/mol:	-49.63
Dipole, Da:	3.05
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC(=O)NC2CC2)NC3=NC=CC(=N3)OC

DOS

IR

Vibrations