Geometry & MOs

Info

ID:	82363
PubChem CID:	49855940
Reduced:	N4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	555.287926
ΔH_f, kcal/mol:	27.47
Dipole, Da:	3.12
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-[(1S,3S,4R)-3-[[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-4-methylcyclohexyl]propoxy]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC1CCC(C(C1)N(C)C2=NC=NC3=C2C=CN3)C(C)C

DOS

IR

Vibrations