Geometry & MOs

Info

ID:	151151
PubChem CID:	53790850
Reduced:	ClFON6H20C21 (1)
Stoich.:	ABCD6E20F21 (1)
Weight, g/mol:	297.162332
ΔH_f, kcal/mol:	56.48
Dipole, Da:	6.05
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide

Drug info:

PubChemData

Smile

CN(C)CCCC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations