Geometry & MOs

Info

ID:	36005
PubChem CID:	7980630
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	390.103814
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	7.56
IP(EA), eV:	-8.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations