Geometry & MOs

Info

ID:	233841
PubChem CID:	92098530
Reduced:	SO2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	374.127343
ΔH_f, kcal/mol:	11.7
Dipole, Da:	9.21
IP(EA), eV:	-9.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)NC2CCC(CC2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations