Geometry & MOs

Info

ID:	425604
PubChem CID:	135126930
Reduced:	S2C17H28 (1)
Stoich.:	A2B17C28 (1)
Weight, g/mol:	679.208219
ΔH_f, kcal/mol:	-12.79
Dipole, Da:	3.27
IP(EA), eV:	-8.73(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

23-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]-3-thia-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene

Drug info:

PubChemData

Smile

CC1CC2C3CC4CC3C1C(CC4(CC2(C)C)S)S

DOS

IR

Vibrations