Geometry & MOs

Info

ID:	417192
PubChem CID:	135091620
Reduced:	FO3N5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	614.342798
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	9.74
IP(EA), eV:	-8.77(-0.8)
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]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC=CN1C)NC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations