Geometry & MOs

Info

ID:	73338
PubChem CID:	48417461
Reduced:	ClO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	334.08481
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	5.05
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations