Geometry & MOs

Info

ID:	327673
PubChem CID:	126690698
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	436.182316
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	3.21
IP(EA), eV:	-9.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]pyridin-4-yl]-2-methylpyridin-3-yl]-3,3-difluorocyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)Br)NS(=O)(=O)C(C)C2=CC=CC=C2

DOS

IR

Vibrations