Geometry & MOs

Info

ID:	237025
PubChem CID:	92716935
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	415.135448
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	8.54
IP(EA), eV:	-8.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-13-(methoxymethyl)-11-methyl-4,5-diphenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-6-one

Drug info:

PubChemData

Smile

C[C@H]1NC2=C(C(=O)N1C3=CC=CC=C3C)SC4=NC(=CC(=C24)COC)C

DOS

IR

Vibrations