Geometry & MOs

Info

ID:	153074
PubChem CID:	56312202
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-6.7
Dipole, Da:	3.56
IP(EA), eV:	-8.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C2=NC(=NO2)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations