Geometry & MOs

Info

ID:	55601
PubChem CID:	17395640
Reduced:	OSN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	437.150619
ΔH_f, kcal/mol:	112.52
Dipole, Da:	4.69
IP(EA), eV:	-9.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[1-(3-chlorophenyl)ethylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=NO3)C

DOS

IR

Vibrations