Geometry & MOs

Info

ID:	394999
PubChem CID:	135024383
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	395.101371
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	1.38
IP(EA), eV:	-9.42(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18,18-dimethyl-15-phenyl-16-oxa-2,17-dithia-12-azapentacyclo[12.2.2.01,12.03,11.05,10]octadeca-5,7,9-trien-13-one

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C/C=C\C[C@@H](O1)CO)OCC2=CC=CC=C2

DOS

IR

Vibrations