Geometry & MOs

Info

ID:	82068
PubChem CID:	49855554
Reduced:	N4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	46.19
Dipole, Da:	4.65
IP(EA), eV:	-8.22(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(benzenesulfonyl)-N-methyl-N-[(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=C)C

DOS

IR

Vibrations