Geometry & MOs

Info

ID:	64020
PubChem CID:	26759701
Reduced:	ClS2N3O6C19H22 (1)
Stoich.:	AB2C3D6E19F22 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-196.03
Dipole, Da:	4.12
IP(EA), eV:	-9.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations