Geometry & MOs

Info

ID:	49840
PubChem CID:	11533941
Reduced:	ClO4N6C27H31 (1)
Stoich.:	AB4C6D27E31 (1)
Weight, g/mol:	539.079648
ΔH_f, kcal/mol:	-87.18
Dipole, Da:	5.11
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-2-methoxy-N-[[4-(trifluoromethylsulfonylamino)phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OCCN2CCNCC2)NC(=O)NC3=CC(=CC=C3)OC4=CC(=NC=C4)C(=O)NC

DOS

IR

Vibrations