Geometry & MOs

Info

ID:	420356
PubChem CID:	135112677
Reduced:	FON5C14H24 (1)
Stoich.:	ABC5D14E24 (1)
Weight, g/mol:	704.249203
ΔH_f, kcal/mol:	-58.22
Dipole, Da:	2.38
IP(EA), eV:	-8.5(0.04)
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]-3,5-dichloro-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(CN1CCOCC1)NC2=NC=C(C(=N2)N(C)C)F

DOS

IR

Vibrations