Geometry & MOs

Info

ID:	56033
PubChem CID:	17403862
Reduced:	BrClSN2O3H6C11 (1)
Stoich.:	ABCD2E3F6G11 (1)
Weight, g/mol:	372.160456
ΔH_f, kcal/mol:	4.15
Dipole, Da:	3.69
IP(EA), eV:	-9.45(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations