Geometry & MOs

Info

ID:	418075
PubChem CID:	135103467
Reduced:	SN2O3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	493.232519
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	5.64
IP(EA), eV:	-8.52(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-9,17,28-trioxa-1,12,13,14,25-pentazapentacyclo[25.3.1.111,14.118,22.03,8]tritriaconta-3(8),4,6,11(33),12,18,20,22(32)-octaen-24-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)[C@H](CCSC)N)OCC2

DOS

IR

Vibrations