Geometry & MOs

Info

ID:	34219
PubChem CID:	7890351
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	419.124798
ΔH_f, kcal/mol:	-146.1
Dipole, Da:	2.22
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations