Geometry & MOs

Info

ID:	195064
PubChem CID:	78629383
Reduced:	ON2S2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	405.151155
ΔH_f, kcal/mol:	14.09
Dipole, Da:	1.55
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC3C2C(=O)NC(N3)CSCC4=CC=CC=C4

DOS

IR

Vibrations