Geometry & MOs

Info

ID:

44858

PubChem CID:

10506205

Reduced:

ON2C16H25 (2)

Stoich.:

AB2C16D25 (2)

Weight, g/mol:

522.3974

ΔHf, kcal/mol:

-138.32

Dipole, Da:

2.95

IP(EA), eV:

 -8.8(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S,7R,8R,11S,12R,15R)-3,7-dimethyl-8-[(2R)-6-methylheptan-2-yl]-18,21-diazaheptacyclo[15.12.0.03,15.04,12.07,11.019,28.020,25]nonacosa-1(17),18,20(25),21,23,26,28-heptaene

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCNC3CC(CC4=C3C=CC(=O)N4)(C)C)C

DOS

IR

Vibrations