Geometry & MOs

Info

ID:

181527

PubChem CID:

76756447

Reduced:

N9O13C71H111 (1)

Stoich.:

A9B13C71D111 (1)

Weight, g/mol:

387.116546

ΔHf, kcal/mol:

-655.17

Dipole, Da:

9.95

IP(EA), eV:

 -8.42(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-(3-carboxyprop-2-enoyloxymethyl)-4-hydroxy-2-methoxy-5-methyloxan-3-yl]amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCCC1C(CO)C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(CC(=O)CCCCCN4C(=O)CC(C4=O)C)C(C)C)OC)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C)C(C)C

DOS

IR

Vibrations