Geometry & MOs

Info

ID:	345224
PubChem CID:	127268984
Reduced:	SO2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	376.168145
ΔH_f, kcal/mol:	5.22
Dipole, Da:	3.93
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CCN(CC2)CC3=NC(=NO3)C)C

DOS

IR

Vibrations