Geometry & MOs

Info

ID:	79740
PubChem CID:	49830217
Reduced:	OF3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	516.296122
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	6.43
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(diaminomethylideneamino)-N-[2-(1H-indol-3-yl)ethyl]-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]pentanamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=NN=CC(=C3)C

DOS

IR

Vibrations