Geometry & MOs

Info

ID:	416708
PubChem CID:	135090153
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	606.316583
ΔH_f, kcal/mol:	-84.09
Dipole, Da:	1.6
IP(EA), eV:	-8.84(0.88)
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]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCC3(CC2)CC(CCO3)(C)O

DOS

IR

Vibrations