Geometry & MOs

Info

ID:	187886
PubChem CID:	77638273
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	521.249034
ΔH_f, kcal/mol:	-25.02
Dipole, Da:	3.84
IP(EA), eV:	-8.62(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-amino-4-(3-chloro-5-fluorophenyl)-2-hydroxybutyl]-3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)N(C)C2CCOC3=C2N=CC=C3

DOS

IR

Vibrations