Geometry & MOs

Info

ID:	154800
PubChem CID:	56314325
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	490.07529
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	4.02
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)C)C2=CC=CC=C2

DOS

IR

Vibrations