Geometry & MOs

Info

ID:	157858
PubChem CID:	56437635
Reduced:	SN2O7C23H34 (1)
Stoich.:	AB2C7D23E34 (1)
Weight, g/mol:	480.164283
ΔH_f, kcal/mol:	-299.4
Dipole, Da:	11.74
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[[6-(difluoromethoxy)-3,4-dihydronaphthalen-2-yl]sulfonyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations