Geometry & MOs

Info

ID:	418770
PubChem CID:	135106781
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	659.343132
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	8.62
IP(EA), eV:	-8.75(-0.71)
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]-2-indol-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O)C

DOS

IR

Vibrations