Geometry & MOs

Info

ID:	431931
PubChem CID:	135172058
Reduced:	SO3N4C24H34 (1)
Stoich.:	AB3C4D24E34 (1)
Weight, g/mol:	366.215472
ΔH_f, kcal/mol:	-71.5
Dipole, Da:	6.31
IP(EA), eV:	-8.81(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-methoxypropyl(2-methylpropyl)amino]-3-nitrophenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN=C(S3)C4CC4

DOS

IR

Vibrations