Geometry & MOs

Info

ID:	153947
PubChem CID:	56313300
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	482.01606
ΔH_f, kcal/mol:	-141.39
Dipole, Da:	9.2
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations