Geometry & MOs

Info

ID:	155291
PubChem CID:	56352877
Reduced:	O2F3N3C23H32 (1)
Stoich.:	A2B3C3D23E32 (1)
Weight, g/mol:	421.160617
ΔH_f, kcal/mol:	-256.6
Dipole, Da:	3.99
IP(EA), eV:	-9.3(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)C2(CCN(C2)CC3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations