Geometry & MOs

Info

ID:

215756

PubChem CID:

85085208

Reduced:

S3N19O21C54H87 (1)

Stoich.:

A3B19C21D54E87 (1)

Weight, g/mol:

1438.640506

ΔHf, kcal/mol:

-929.04

Dipole, Da:

13.08

IP(EA), eV:

 -7.73(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[8a-[3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3-(4-methoxyphenyl)prop-2-enoyloxy]-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)N)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)N

DOS

IR

Vibrations