Geometry & MOs

Info

ID:	313184
PubChem CID:	126612419
Reduced:	OF3N5H24C26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	409.130553
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	4.39
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-5-(2-methylpyridine-4-carboximidoyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=C2C=C(C=C3)C(=O)N[C@H]4CN(C[C@@H]4C5=CC=CC=C5C(F)(F)F)C

DOS

IR

Vibrations