Geometry & MOs

Info

ID:	38603
PubChem CID:	8137204
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	377.085242
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	3.55
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCC(=O)NCC(=O)NC2CC2)C

DOS

IR

Vibrations