Geometry & MOs

Info

ID:	38534
PubChem CID:	8137012
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	389.084555
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	3.2
IP(EA), eV:	-9.74(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations