Geometry & MOs

Info

ID:	35723
PubChem CID:	7980245
Reduced:	NSO6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-211.92
Dipole, Da:	2.14
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[2-(2-phenoxyacetyl)oxyacetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations