Geometry & MOs

Info

ID:	179741
PubChem CID:	76524214
Reduced:	SN2O6H22C24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	-162.6
Dipole, Da:	8.3
IP(EA), eV:	-8.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(6-methyl-1,2-benzoxazol-3-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2C(=O)C=CC3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations