Geometry & MOs

Info

ID:	185389
PubChem CID:	77294087
Reduced:	NSF2O3H7C17 (1)
Stoich.:	ABC2D3E7F17 (1)
Weight, g/mol:	480.151907
ΔH_f, kcal/mol:	-90.75
Dipole, Da:	4.26
IP(EA), eV:	-8.96(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-fluoro-4-(8-methoxy-6-methylidene-4-oxothieno[2,3-c]quinolin-9-yl)phenyl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=O)C(=C2C=C(C(=O)C(=C2)F)F)C3=C1NC(=O)C4=C3C=CS4

DOS

IR

Vibrations