Geometry & MOs

Info

ID:	401805
PubChem CID:	135052683
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	618.08386
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	5.65
IP(EA), eV:	-8.95(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[(Z)-[(Z)-1-[bromo(triphenyl)-lambda5-phosphanyl]-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C\C=C\C2CCCCC2

DOS

IR

Vibrations