Geometry & MOs

Info

ID:	237023
PubChem CID:	92716929
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-64.61
Dipole, Da:	9.14
IP(EA), eV:	-8.12(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-benzyl-4-ethyl-13-(methoxymethyl)-11-methyl-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

CC[C@@H]1NC2=C(C(=O)N1C3=CC=C(C=C3)OC)SC4=NC(=CC(=C24)COC)C

DOS

IR

Vibrations