Geometry & MOs

Info

ID:	244453
PubChem CID:	99355575
Reduced:	FSO3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	414.151433
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	4.36
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations