Geometry & MOs

Info

ID:

297626

PubChem CID:

117624141

Reduced:

BrH13C18 (1)

Stoich.:

AB13C18 (1)

Weight, g/mol:

785.436364

ΔHf, kcal/mol:

57.86

Dipole, Da:

2.92

IP(EA), eV:

 -8.59(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,18R,20R,24S,27S)-N-[(1R,2S)-1-carbamoyl-2-ethenylcyclopropyl]-24-cyclohexyl-11-(2-morpholin-4-ylethoxy)-22,25-dioxo-2,21-dioxa-23,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3=C1C=CC4=C3C=CC(=C4)Br

DOS

IR

Vibrations