Geometry & MOs

Info

ID:	194591
PubChem CID:	78559227
Reduced:	OS2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	366.132589
ΔH_f, kcal/mol:	9.62
Dipole, Da:	6.03
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-difluorophenyl)ethyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)CSC2=NN=C3N2CCCCC3

DOS

IR

Vibrations