Geometry & MOs

Info

ID:	421366
PubChem CID:	135115872
Reduced:	OF3N3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	610.322731
ΔH_f, kcal/mol:	-194.98
Dipole, Da:	6.15
IP(EA), eV:	-9.24(-0.86)
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]-1-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC1=O)CN(C)C2=C(C=CC=N2)C(F)(F)F

DOS

IR

Vibrations