Geometry & MOs

Info

ID:	320156
PubChem CID:	126658494
Reduced:	O5N6C30H38 (1)
Stoich.:	A5B6C30D38 (1)
Weight, g/mol:	411.107372
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	2.92
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[amino(chloro)methyl]-5-imino-2-[2-(2-methylpyridin-3-yl)-5-(trifluoromethyl)phenoxy]pyrrol-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C1=NC(=CO1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations