Geometry & MOs

Info

ID:	61227
PubChem CID:	26707228
Reduced:	ClSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	382.065111
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	3.95
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=C(N=C(S2)C)C3=CC=CC=C3

DOS

IR

Vibrations