Geometry & MOs

Info

ID:	194976
PubChem CID:	78616346
Reduced:	N2O3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	354.148752
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	5.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999722
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]-prop-2-enylazanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=CC=C3OC

DOS

IR

Vibrations