Geometry & MOs

Info

ID:	437290
PubChem CID:	135221763
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	5.65
IP(EA), eV:	-8.29(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(=O)CC4)CCN(C)C

DOS

IR

Vibrations