Geometry & MOs

Info

ID:	421874
PubChem CID:	135116759
Reduced:	OSN2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	635.343132
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	5.33
IP(EA), eV:	-8.55(-0.78)
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]-3-pyridin-4-ylpropanamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C(C1=O)CN3CCC(CC3)CSC

DOS

IR

Vibrations