Geometry & MOs

Info

ID:	38513
PubChem CID:	8136954
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	405.055005
ΔH_f, kcal/mol:	-194.19
Dipole, Da:	5.08
IP(EA), eV:	-9.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations