Geometry & MOs

Info

ID:	237024
PubChem CID:	92716931
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-29.65
Dipole, Da:	8.1
IP(EA), eV:	-8.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-13-(methoxymethyl)-4,11-dimethyl-5-(2-methylphenyl)-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)N1CC3=CC=CC=C3)SC4=NC(=CC(=C24)COC)C

DOS

IR

Vibrations