Geometry & MOs

Info

ID:

319938

PubChem CID:

126657633

Reduced:

SN5O8H29C35 (1)

Stoich.:

AB5C8D29E35 (1)

Weight, g/mol:

364.167459

ΔHf, kcal/mol:

-157.32

Dipole, Da:

7.96

IP(EA), eV:

 -8.22(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-hydroxy-2-methylpentyl) 2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyl carbonate

Drug info:

PubChemData

Smile

COC1=C(C=C2C=C(NC2=C1)C(=O)N3C[C@@H]4CC45C3=CC(=O)C6=C5C=C(N6)C(=O)N7CCC8=C9C=C(NC9=C(C(=C87)O)OC)C(=O)SC)O

DOS

IR

Vibrations