Geometry & MOs

Info

ID:	364357
PubChem CID:	127315500
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-147.2
Dipole, Da:	1.55
IP(EA), eV:	-8.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylcyclohexyl)oxy-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2CN3CCCCC3

DOS

IR

Vibrations