Geometry & MOs

Info

ID:	34392
PubChem CID:	7891061
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	387.10665
ΔH_f, kcal/mol:	-197.7
Dipole, Da:	2.38
IP(EA), eV:	-8.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(4-amino-3-nitrobenzoyl)oxyacetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O)OCC

DOS

IR

Vibrations