Geometry & MOs

Info

ID:	44908
PubChem CID:	10506465
Reduced:	NC38H63 (1)
Stoich.:	AB38C63 (1)
Weight, g/mol:	533.11108
ΔH_f, kcal/mol:	-1.95
Dipole, Da:	3.3
IP(EA), eV:	-9.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E)-2-[1-[4-(4-chlorophenyl)-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]ethylidene]hydrazinyl]-5-methyl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCCCCC#CCCCCCCCCC(CCCCCCCCC#CCCCCCC)C1=CC=NC=C1

DOS

IR

Vibrations