Geometry & MOs

Info

ID:	309811
PubChem CID:	126560140
Reduced:	SN3O3C8H13 (1)
Stoich.:	AB3C3D8E13 (1)
Weight, g/mol:	446.178299
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	6.58
IP(EA), eV:	-10.33(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22-methyl-13,14-diphenyl-1,12-diazahexacyclo[9.8.2.115,19.02,7.08,20.014,21]docosa-2,4,6,8(20),9,11(21),12,15(22),16,18-decaene

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)[C@H]([C@H](C)S(=O)(=O)N)O

DOS

IR

Vibrations