Geometry & MOs

Info

ID:	170066
PubChem CID:	75192432
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	299.073991
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	5.85
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-fluorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazinan-6-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CN2C=CC3C2CCNC3=O

DOS

IR

Vibrations