Geometry & MOs

Info

ID:	443259
PubChem CID:	135258310
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	638.192309
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	2.86
IP(EA), eV:	-8.72(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-[2-(methylamino)pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)N1CCC1CC(C)N2CC(C2)OC

DOS

IR

Vibrations