Geometry & MOs

Info

ID:

47324

PubChem CID:

10531559

Reduced:

N2P2O12C23H38 (1)

Stoich.:

A2B2C12D23E38 (1)

Weight, g/mol:

596.364779

ΔHf, kcal/mol:

-672.47

Dipole, Da:

8.54

IP(EA), eV:

 -9.47(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-[(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-ylidene]amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)OP(=O)(O)OC(=O)CCCCCCCCCCCOC

DOS

IR

Vibrations