Geometry & MOs

Info

ID:	33276
PubChem CID:	7885794
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	3.41
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfanylphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCC3

DOS

IR

Vibrations