Geometry & MOs

Info

ID:	185396
PubChem CID:	77295409
Reduced:	ClSO3N5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	476.176979
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	5.46
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(8-methoxy-6-methylidene-4-oxothieno[2,3-c]quinolin-9-yl)phenyl]-3,3-dimethylbutan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC1C2=C(CS1)N=CN=C2N3CCN(CC3)C(=O)C(CN(C(C)C)C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations