Geometry & MOs

Info

ID:	147464
PubChem CID:	53787120
Reduced:	NS2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	329.96583
ΔH_f, kcal/mol:	-12.12
Dipole, Da:	2.05
IP(EA), eV:	-8.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-4-(4-chlorophenyl)-2-(methoxymethylidene)but-3-enoate

Drug info:

PubChemData

Smile

CC1N=C(SC(S1)(C)C)C

DOS

IR

Vibrations