Geometry & MOs

Info

ID:	184894
PubChem CID:	77225452
Reduced:	N2S2O5C29H36 (1)
Stoich.:	A2B2C5D29E36 (1)
Weight, g/mol:	420.10486
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	4.72
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(4-bromophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)carbamate

Drug info:

PubChemData

Smile

CC(C)SC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)NS(=O)(=O)CCOC

DOS

IR

Vibrations