Geometry & MOs

Info

ID:	176074
PubChem CID:	75992109
Reduced:	F2N3O5H23C29 (1)
Stoich.:	A2B3C5D23E29 (1)
Weight, g/mol:	440.072819
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	6.96
IP(EA), eV:	-9.28(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[C-(2,3-dichloro-4-methylphenyl)-N-methoxycarbonimidoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] butanoate

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NOCCC6=C(C=C(C=C6)F)F)O

DOS

IR

Vibrations