Geometry & MOs

Info

ID:	157201
PubChem CID:	56422390
Reduced:	OS2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	402.093266
ΔH_f, kcal/mol:	96.27
Dipole, Da:	2.64
IP(EA), eV:	-9.04(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC4=NN=CS4)C

DOS

IR

Vibrations