Geometry & MOs

Info

ID:	223772
PubChem CID:	85335551
Reduced:	F2S2N3O6C23H29 (1)
Stoich.:	A2B2C3D6E23F29 (1)
Weight, g/mol:	545.115412
ΔH_f, kcal/mol:	-259.97
Dipole, Da:	2.85
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(methanesulfonamido)phenyl]propanamide;formic acid

Drug info:

PubChemData

Smile

CC(C)(C(C(=O)NO)NS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)F)F)SCCN3CCOCC3

DOS

IR

Vibrations