Geometry & MOs

Info

ID:	56183
PubChem CID:	17422385
Reduced:	FN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-184.69
Dipole, Da:	3.06
IP(EA), eV:	-8.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)F

DOS

IR

Vibrations