Geometry & MOs

Info

ID:	50823
PubChem CID:	12013412
Reduced:	NS2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	127.12
Dipole, Da:	6.63
IP(EA), eV:	-8.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-3-(dimethylcarbamoyl)-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CSC1=C(SC(=C2C3=C(C4=C2C=CC=N4)N=CC=C3)S1)SC

DOS

IR

Vibrations