Geometry & MOs

Info

ID:

327589

PubChem CID:

126690421

Reduced:

N3O6C29H29 (1)

Stoich.:

A3B6C29D29 (1)

Weight, g/mol:

676.266581

ΔHf, kcal/mol:

-159.63

Dipole, Da:

8.06

IP(EA), eV:

 -8.89(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S,7R,8R)-8-benzyl-4-(hydroxymethylidene)-3-[[4-methoxy-5-(2-methylpropanoyloxymethoxy)-2,3-dihydropyridine-6-carbonyl]amino]-9-oxo-6-sulfanyl-1,5-dioxonan-7-yl] 3-methylpentanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C2N/C(=C/3\C=CC(=O)C(=C3O)C)/N/C(=C/4\C=CC(=O)C(=C4O)C)/N2)C1=O)OC5CCCC5

DOS

IR

Vibrations