Geometry & MOs

Info

ID:	328213
PubChem CID:	126697678
Reduced:	BrN2O8C15H23 (1)
Stoich.:	AB2C8D15E23 (1)
Weight, g/mol:	408.99834
ΔH_f, kcal/mol:	-352.03
Dipole, Da:	8.56
IP(EA), eV:	-9.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-bromo-4-(2-methoxycarbonylphenyl)sulfanyl-2-methylbenzoate

Drug info:

PubChemData

Smile

COC(=O)CCNC(=O)/C(=C/C(=O)NCCOCCOCCC(=O)O)/Br

DOS

IR

Vibrations