Geometry & MOs

Info

ID:	443978
PubChem CID:	135260897
Reduced:	SO2N6C30H30 (1)
Stoich.:	AB2C6D30E30 (1)
Weight, g/mol:	575.209007
ΔH_f, kcal/mol:	60.15
Dipole, Da:	1.24
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyclohexanecarbonylamino)-3-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]propanoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=O)[C@H](CC3=CC=C(C=C3)OC4=C5C(=CNC5=NC=C4)C6=CN=CS6)N

DOS

IR

Vibrations