Geometry & MOs

Info

ID:	181384
PubChem CID:	76740477
Reduced:	NSO5H23C25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	401.093309
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	2.24
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 4-[4-(2-acetyloxyiminopropanoyl)phenyl]sulfanylbenzoate

Drug info:

PubChemData

Smile

CC(=NOC(=O)C)C(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)OCC(C3=CC=CC=C3)O

DOS

IR

Vibrations