Geometry & MOs

Info

ID:	172727
PubChem CID:	75544617
Reduced:	S2N3O5C21H25 (1)
Stoich.:	A2B3C5D21E25 (1)
Weight, g/mol:	431.097349
ΔH_f, kcal/mol:	-150.09
Dipole, Da:	1.94
IP(EA), eV:	-8.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxo-N-(2-phenylethyl)-3-sulfanylidene-12,14-dioxa-4-thia-2,7-diazatetracyclo[7.7.0.02,6.011,15]hexadec-5-ene-5-carboxamide

Drug info:

PubChemData

Smile

COC1CC2C(CC1OC)N3C(=C(SC3=S)C(=O)NCC4=CC=C(C=C4)OC)NC2=O

DOS

IR

Vibrations