Geometry & MOs

Info

ID:	36434
PubChem CID:	8006814
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	400.114475
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	4.68
IP(EA), eV:	-8.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-4-(3-acetylanilino)-2-(2-methoxy-5-nitroanilino)-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=CC(=O)CC3(C2)CCCCC3)OC

DOS

IR

Vibrations