Geometry & MOs

Info

ID:	161081
PubChem CID:	57390698
Reduced:	SF3N3O3C24H34 (1)
Stoich.:	AB3C3D3E24F34 (1)
Weight, g/mol:	398.235814
ΔH_f, kcal/mol:	-294.71
Dipole, Da:	14.59
IP(EA), eV:	-9.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,14R,15R)-25-(2-methylpropyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)S(=O)(=O)CCCC(F)(F)F)N=C2C(C)(C)C

DOS

IR

Vibrations