Geometry & MOs

Info

ID:

214613

PubChem CID:

85083278

Reduced:

N4O4C33H42 (1)

Stoich.:

A4B4C33D42 (1)

Weight, g/mol:

558.276358

ΔHf, kcal/mol:

-144.52

Dipole, Da:

5.52

IP(EA), eV:

 -8.41(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;2-[(4-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylpropoxy)ethyl]-N-(2-pyrrolidin-1-ylethyl)aniline

Drug info:

PubChemData

Smile

CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)CC)C)CC(C)C(=O)O)CC)C)C

DOS

IR

Vibrations