Geometry & MOs

Info

ID:	312003
PubChem CID:	126600722
Reduced:	FO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	463.129232
ΔH_f, kcal/mol:	-129.13
Dipole, Da:	1.91
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,4S)-2-amino-4-(dimethylcarbamoyl)cyclohexyl]-N'-(5-chloropyridin-2-yl)oxamide;methanesulfonic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=NC=C(C=C4)F

DOS

IR

Vibrations