Geometry & MOs

Info

ID:	56035
PubChem CID:	17403865
Reduced:	ClNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	380.134777
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	5.2
IP(EA), eV:	-9.23(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phenoxyacetyl)amino]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations