Geometry & MOs

Info

ID:	32043
PubChem CID:	4254159
Reduced:	N4O5C27H34 (1)
Stoich.:	A4B5C27D34 (1)
Weight, g/mol:	568.11678
ΔH_f, kcal/mol:	-149.67
Dipole, Da:	1.69
IP(EA), eV:	-8.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)N3CCN(C(C3)C)C4=CC(=CC=C4)OC

DOS

IR

Vibrations