Geometry & MOs

Info

ID:	195132
PubChem CID:	78641408
Reduced:	OS3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	91.76
Dipole, Da:	8.15
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CS2)C#N)C3=CC=CS3

DOS

IR

Vibrations