Geometry & MOs

Info

ID:	428024
PubChem CID:	135165781
Reduced:	NSH19C28 (1)
Stoich.:	ABC19D28 (1)
Weight, g/mol:	385.146664
ΔH_f, kcal/mol:	111.78
Dipole, Da:	3.43
IP(EA), eV:	-8.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-ethyl-10-oxa-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

CCN1C2=C(C3=C(C=C2)SC4=CC=CC=C43)C5=C1C6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations