Geometry & MOs

Info

ID:

215517

PubChem CID:

85084853

Reduced:

N10O13C47H76 (1)

Stoich.:

A10B13C47D76 (1)

Weight, g/mol:

988.497292

ΔHf, kcal/mol:

-644.52

Dipole, Da:

6.53

IP(EA), eV:

 -9.17(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[8-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-5,7-bis[(2-methoxy-2-phenylacetyl)oxy]-4,6-dimethylnon-3-en-2-yl]-3,5-dimethyl-4-oxopyran-2-yl]pentan-3-yl 2-methoxy-2-phenylacetate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC1CCCCC1)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCCN)C(=O)O)N

DOS

IR

Vibrations