Geometry & MOs

Info

ID:	18479
PubChem CID:	541575
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-182.33
Dipole, Da:	9.5
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamidoethyl 3-acetamido-5-chloro-4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)C(=O)OCCNC(=O)C)NC(=O)C

DOS

IR

Vibrations