Geometry & MOs

Info

ID:	388794
PubChem CID:	134990231
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	616.266581
ΔH_f, kcal/mol:	-122.13
Dipole, Da:	4.38
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)CC2=CC(=C(C(=C2)N)OC3=CC=C(C=C3)OC)N

DOS

IR

Vibrations