Geometry & MOs

Info

ID:	53749
PubChem CID:	14717851
Reduced:	ClSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	404.201927
ΔH_f, kcal/mol:	-85.23
Dipole, Da:	2.57
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(E)-[2-(2-chlorophenyl)-4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-2-methylphenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CN(C)CCN1C(=O)[C@H]([C@@H](SC2=C1C(=CC=C2)Cl)C3=CC=C(C=C3)O)O

DOS

IR

Vibrations