Geometry & MOs

Info

ID:	62127
PubChem CID:	26717682
Reduced:	O2Cl3N3C18H18 (1)
Stoich.:	A2B3C3D18E18 (1)
Weight, g/mol:	444.067734
ΔH_f, kcal/mol:	-80.93
Dipole, Da:	5.65
IP(EA), eV:	-9.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C[C@@H](C2=CC=C(C=C2)Cl)NC(=O)N

DOS

IR

Vibrations