Geometry & MOs

Info

ID:	39105
PubChem CID:	8139705
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	418.180053
ΔH_f, kcal/mol:	-159.99
Dipole, Da:	3.76
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)COC1=CC=CC=C1Cl

DOS

IR

Vibrations