Geometry & MOs

Info

ID:	36893
PubChem CID:	8014369
Reduced:	S2N3O5C15H15 (1)
Stoich.:	A2B3C5D15E15 (1)
Weight, g/mol:	394.065714
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	8.69
IP(EA), eV:	-9.07(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations