Geometry & MOs

Info

ID:	370926
PubChem CID:	127341329
Reduced:	SO2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	266.156518
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	6.74
IP(EA), eV:	-8.73(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)thiomorpholine

Drug info:

PubChemData

Smile

CC1CSCCN1CC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations