Geometry & MOs

Info

ID:	416276
PubChem CID:	135089288
Reduced:	NSO6C17H23 (1)
Stoich.:	ABC6D17E23 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-220.69
Dipole, Da:	8.99
IP(EA), eV:	-9.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(cyclohexylamino)-3-oxopropyl]amino]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)N2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations