Geometry & MOs

Info

ID:

190428

PubChem CID:

78003094

Reduced:

F2O2N3H17C18 (1)

Stoich.:

A2B2C3D17E18 (1)

Weight, g/mol:

706.482192

ΔHf, kcal/mol:

-119.11

Dipole, Da:

1.55

IP(EA), eV:

 -8.81(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 18-amino-12-(3-carbamoylphenyl)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacos-11-ene-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=CC3=C(C=C2)OCCC34C(COC(=N4)N)(F)F

DOS

IR

Vibrations