Geometry & MOs

Info

ID:

180418

PubChem CID:

76629718

Reduced:

OC4H6 (7)

Stoich.:

AB4C6 (7)

Weight, g/mol:

769.506175

ΔHf, kcal/mol:

-306.18

Dipole, Da:

5.29

IP(EA), eV:

 -9.57(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxyhexyl]-6-(7,8-dimethyl-2,4-dioxo-1,4a,5,5a,6,7,8,9,9a,10a-decahydrobenzo[g]pteridin-10-yl)hexanamide

Drug info:

PubChemData

Smile

CCC=CCCCCCCCCCCCC(=O)CC1CC(=O)CC2(O1)CC3C(O2)C4C(O4)C(=O)O3

DOS

IR

Vibrations