Geometry & MOs

Info

ID:	194361
PubChem CID:	78523670
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	403.083806
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	4.81
IP(EA), eV:	-9.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methylsulfanyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=O

DOS

IR

Vibrations