Geometry & MOs

Info

ID:	132085
PubChem CID:	51304214
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	366.091725
ΔH_f, kcal/mol:	-11.47
Dipole, Da:	3.36
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=NN=C2SC3CCCCNC3=O)C4=CC=CO4

DOS

IR

Vibrations