Geometry & MOs

Info

ID:	237022
PubChem CID:	92716926
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	8.3
IP(EA), eV:	-8.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-ethyl-13-(methoxymethyl)-5-(4-methoxyphenyl)-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

CCC1=CC=CC=C1N2[C@@H](NC3=C(C2=O)SC4=NC(=CC(=C34)COC)C)C

DOS

IR

Vibrations