Geometry & MOs

Info

ID:	167978
PubChem CID:	74908306
Reduced:	FN5O5H20C23 (1)
Stoich.:	AB5C5D20E23 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	6.14
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-(2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodecan-12-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F

DOS

IR

Vibrations