Geometry & MOs

Info

ID:	68973
PubChem CID:	46514396
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	458.195405
ΔH_f, kcal/mol:	24.93
Dipole, Da:	3.74
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-benzamidophenyl)ethyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NNC(=O)C4=CC5=C(S4)CCCCC5)C

DOS

IR

Vibrations