Geometry & MOs

Info

ID:	368646
PubChem CID:	127329719
Reduced:	SN3O3C16H27 (1)
Stoich.:	AB3C3D16E27 (1)
Weight, g/mol:	339.136511
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	3.26
IP(EA), eV:	-8.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1,2-oxazol-3-yl)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)S(=O)(=O)CC3=NOC(=C3)C)C

DOS

IR

Vibrations