Geometry & MOs

Info

ID:	179796
PubChem CID:	76533447
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	390.267114
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	7.15
IP(EA), eV:	-9.06(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(5-ethenylpyridin-3-yl)-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=C3C(=O)N(C(=O)S3)CC(=O)OC

DOS

IR

Vibrations