Geometry & MOs

Info

ID:	193663
PubChem CID:	78421581
Reduced:	SN3O7C21H31 (1)
Stoich.:	AB3C7D21E31 (1)
Weight, g/mol:	446.168916
ΔH_f, kcal/mol:	-320.32
Dipole, Da:	4.51
IP(EA), eV:	-9.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)ethylamino]ethyl]phenyl]formamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(CS)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations