Geometry & MOs

Info

ID:	160701
PubChem CID:	57389477
Reduced:	OSN6C19H26 (1)
Stoich.:	ABC6D19E26 (1)
Weight, g/mol:	422.105815
ΔH_f, kcal/mol:	27.42
Dipole, Da:	2.79
IP(EA), eV:	-8.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-2-pyrimidin-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=CC3=CN=C(N=C32)SC)C(=N1)C(=O)NCCN(C)C

DOS

IR

Vibrations