Geometry & MOs

Info

ID:	43057
PubChem CID:	10318249
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	390.107185
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	3.34
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[[5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazol-2-yl]sulfanyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)C(=O)NC[C@@H]1C[C@H]1C2=C3C(=CC=C2)N=C(O3)CCCCC4=CC=CC=C4

DOS

IR

Vibrations