Geometry & MOs

Info

ID:	156477
PubChem CID:	56370767
Reduced:	SN2O7H16C19 (1)
Stoich.:	AB2C7D16E19 (1)
Weight, g/mol:	414.183795
ΔH_f, kcal/mol:	-221.49
Dipole, Da:	7.34
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C4=CC=CC=C4CS3(=O)=O)OCO2

DOS

IR

Vibrations