Geometry & MOs

Info

ID:	214248
PubChem CID:	84974781
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	355.120192
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	4.91
IP(EA), eV:	-8.6(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(dimethylamino)-5-nitrobenzoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations