Geometry & MOs

Info

ID:	41905
PubChem CID:	8147777
Reduced:	ON3C20H24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	399.142819
ΔH_f, kcal/mol:	25.82
Dipole, Da:	11.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761610
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N,N-diethylpyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH2+][C@@H](C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations