Geometry & MOs

Info

ID:	310510
PubChem CID:	126581289
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	400.103057
ΔH_f, kcal/mol:	-178.19
Dipole, Da:	2.88
IP(EA), eV:	-9.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-chloro-2-(3-chloroprop-1-enyl)-1-[3-(2,2-dimethylpropoxysulfanyl)phenyl]hex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCNC(=O)OC(C)(C)C)C

DOS

IR

Vibrations