Geometry & MOs

Info

ID:	131607
PubChem CID:	51234469
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	377.16856
ΔH_f, kcal/mol:	-22.36
Dipole, Da:	6.67
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NN=C(N2N)C3CCCCC3

DOS

IR

Vibrations