Geometry & MOs

Info

ID:	43185
PubChem CID:	10319240
Reduced:	SN3O3C21H33 (1)
Stoich.:	AB3C3D21E33 (1)
Weight, g/mol:	407.126136
ΔH_f, kcal/mol:	-132.53
Dipole, Da:	2.23
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrol-2-yl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C2CCN(C2=C(C(=C1NS(=O)(=O)C)C)NC(=O)C(C)(C)C)CC3CCC3

DOS

IR

Vibrations