Geometry & MOs

Info

ID:

421162

PubChem CID:

135115490

Reduced:

NOC7H9 (3)

Stoich.:

ABC7D9 (3)

Weight, g/mol:

689.335939

ΔHf, kcal/mol:

-81.54

Dipole, Da:

3.41

IP(EA), eV:

 -9.05(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[(3-methylphenyl)methyl]-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)CC3=CN=C(N=C3)C4=CC=CC=C4)OC[C@@H]1O)O

DOS

IR

Vibrations