Geometry & MOs

Info

ID:	416510
PubChem CID:	135089528
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	626.303968
ΔH_f, kcal/mol:	-118.21
Dipole, Da:	4.45
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4)OCCO2

DOS

IR

Vibrations