Geometry & MOs

Info

ID:	244819
PubChem CID:	99425995
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	378.096203
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	4.9
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2,6-difluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN(C)C(=O)COC2=NN(C3=C2C(=CC(=N3)C)C)C

DOS

IR

Vibrations