Geometry & MOs

Info

ID:	378360
PubChem CID:	134224439
Reduced:	NO4C10H17 (1)
Stoich.:	AB4C10D17 (1)
Weight, g/mol:	595.323065
ΔH_f, kcal/mol:	-195.5
Dipole, Da:	2.02
IP(EA), eV:	-10.57(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(12S,18S)-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-9-yl]propyl]guanidine

Drug info:

PubChemData

Smile

C1CC(CCC1CC(C(=O)O)NC=O)O

DOS

IR

Vibrations