Geometry & MOs

Info

ID:	140198
PubChem CID:	52660557
Reduced:	ClN4O4C23H23 (1)
Stoich.:	AB4C4D23E23 (1)
Weight, g/mol:	364.098343
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	7.42
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]-cyclopropylazanium

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)CCC3=O)C(=O)NC4=NC=C(C=C4)Cl

DOS

IR

Vibrations