Geometry & MOs

Info

ID:

218748

PubChem CID:

85089903

Reduced:

NPO8C25H30 (1)

Stoich.:

ABC8D25E30 (1)

Weight, g/mol:

503.140259

ΔHf, kcal/mol:

-308.98

Dipole, Da:

4.73

IP(EA), eV:

 -9.1(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16,17-dimethoxy-6-propan-2-yl-13-pyridin-2-ylsulfanyl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)COP(OCCC#N)OC(C2=CC(=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations