Geometry & MOs

Info

ID:	141234
PubChem CID:	52844172
Reduced:	ClFN2O2C16H20 (1)
Stoich.:	ABC2D2E16F20 (1)
Weight, g/mol:	441.07186
ΔH_f, kcal/mol:	-142.71
Dipole, Da:	2.37
IP(EA), eV:	-9.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCCNC(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations