Geometry & MOs

Info

ID:	187893
PubChem CID:	77639789
Reduced:	BrSN2O3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	548.02528
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	3.95
IP(EA), eV:	-9.35(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-methoxybenzoyl)amino]-3-[4-(1-methylsulfonyl-2-oxopyridin-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)C2C(=C(SC2=NC1=O)Br)C3=CC=CO3

DOS

IR

Vibrations