Geometry & MOs

Info

ID:	194590
PubChem CID:	78559226
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	336.107854
ΔH_f, kcal/mol:	2.95
Dipole, Da:	5.53
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)CSC1=NN=C2N1CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations