Geometry & MOs

Info

ID:	437291
PubChem CID:	135221773
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	407.141596
ΔH_f, kcal/mol:	-38.17
Dipole, Da:	8.71
IP(EA), eV:	-8.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-2-ethyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)(C)C)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations