Geometry & MOs

Info

ID:	64008
PubChem CID:	26759679
Reduced:	SN3O6C24H25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	405.05757
ΔH_f, kcal/mol:	-170.03
Dipole, Da:	7.29
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations