Geometry & MOs

Info

ID:	121074
PubChem CID:	50755012
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	384.136845
ΔH_f, kcal/mol:	11.76
Dipole, Da:	5.59
IP(EA), eV:	-9.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-5-[[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]amino]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CO2)C(=O)NCC3=NOC(=N3)CCC4=CC=CC=C4

DOS

IR

Vibrations