Geometry & MOs

Info

ID:	195572
PubChem CID:	78703028
Reduced:	ClOSF2N5H14C17 (1)
Stoich.:	ABCD2E5F14G17 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-26.1
Dipole, Da:	4.88
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-4-[[(4-propylphenyl)-thiophen-2-ylmethyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)SC2=NN=C(N2N)C3=CC=C(C=C3)F

DOS

IR

Vibrations