Geometry & MOs

Info

ID:	423940
PubChem CID:	135120815
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	490.269239
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	8.78
IP(EA), eV:	-8.43(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-(pyridin-3-ylmethyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=CNC(=C(C1=O)C)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations