Geometry & MOs

Info

ID:	421457
PubChem CID:	135116041
Reduced:	N2S2O5C15H24 (1)
Stoich.:	A2B2C5D15E24 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-198.13
Dipole, Da:	7.53
IP(EA), eV:	-9.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations