Geometry & MOs

Info

ID:	188840
PubChem CID:	77772906
Reduced:	S2N3O5C26H35 (1)
Stoich.:	A2B3C5D26E35 (1)
Weight, g/mol:	577.9875
ΔH_f, kcal/mol:	-177.36
Dipole, Da:	3.14
IP(EA), eV:	-8.98(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-[4-(3-bromo-4-methyl-6-oxo-3H-pyridin-5-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)N(C(=O)OC(C)(C)C)NCC(C)(CS(=O)(=O)C2=CC3=C(C=C2)N=CS3)O

DOS

IR

Vibrations