Geometry & MOs

Info

ID:	224807
PubChem CID:	85370863
Reduced:	IN2O4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	236.087101
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	5.2
IP(EA), eV:	-10.27(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-phenylsulfanylpent-2-enoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C=C(C(O2)CO)I

DOS

IR

Vibrations