Geometry & MOs

Info

ID:	422612
PubChem CID:	135118139
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	596.295848
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	2.63
IP(EA), eV:	-9.03(-0.96)
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]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCN(C)C(=O)CCC2=NC3=CC=CC=C3N=C2OC)C

DOS

IR

Vibrations