Geometry & MOs

Info

ID:	36685
PubChem CID:	8011055
Reduced:	O3N5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	391.099063
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	6.93
IP(EA), eV:	-9.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-cyclopropylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations