Geometry & MOs

Info

ID:	38504
PubChem CID:	8136931
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	7.07
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations