Geometry & MOs

Info

ID:	176078
PubChem CID:	75992153
Reduced:	N3O5H23C31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	378.080491
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	7.76
IP(EA), eV:	-8.91(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NOC6=CC=CC7=CC=CC=C76)O

DOS

IR

Vibrations