Geometry & MOs

Info

ID:	32995
PubChem CID:	7850010
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	-176.42
Dipole, Da:	5.78
IP(EA), eV:	-9.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N

DOS

IR

Vibrations