Geometry & MOs

Info

ID:	69054
PubChem CID:	46516704
Reduced:	FOSN6H17C19 (1)
Stoich.:	ABCD6E17F19 (1)
Weight, g/mol:	424.13584
ΔH_f, kcal/mol:	92.97
Dipole, Da:	6.19
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-acetamidophenyl)methyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)SC(C)C3=NC(=NO3)C4=CC(=C(C=C4)C)F

DOS

IR

Vibrations