Geometry & MOs

Info

ID:

422289

PubChem CID:

135117562

Reduced:

ClOF2N4C17H19 (1)

Stoich.:

ABC2D4E17F19 (1)

Weight, g/mol:

777.282379

ΔHf, kcal/mol:

-84.79

Dipole, Da:

3.89

IP(EA), eV:

-8.69(-0.48)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(3-chloropyridine-4-carbonyl)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-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

C1CN(CCN(C1)C(=O)C2=NNC(=C2)C(F)F)CC3=CC=CC=C3Cl

DOS

IR

Vibrations