Geometry & MOs

Info

ID:	124512
PubChem CID:	50885806
Reduced:	N2O8H18C21 (1)
Stoich.:	A2B8C18D21 (1)
Weight, g/mol:	436.101227
ΔH_f, kcal/mol:	-275.45
Dipole, Da:	5.6
IP(EA), eV:	-9.47(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)C(=O)OCC

DOS

IR

Vibrations