Geometry & MOs

Info

ID:	142579
PubChem CID:	53060120
Reduced:	SN2O4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	457.04596
ΔH_f, kcal/mol:	-99.05
Dipole, Da:	2.9
IP(EA), eV:	-8.94(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=C(C=CC(=C2)C3=C(C(=NO3)C)C)C

DOS

IR

Vibrations