Geometry & MOs

Info

ID:	314384
PubChem CID:	126621734
Reduced:	NSH17C30 (1)
Stoich.:	ABC17D30 (1)
Weight, g/mol:	399.108171
ΔH_f, kcal/mol:	129.35
Dipole, Da:	0.95
IP(EA), eV:	-8.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-phenyl-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2NC4=C3C=C5C=CC6=C(C5=C4)SC7=C6C=CC8=CC=CC=C87

DOS

IR

Vibrations