Geometry & MOs

Info

ID:	162123
PubChem CID:	57393682
Reduced:	SN2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	624.122117
ΔH_f, kcal/mol:	50.15
Dipole, Da:	2.96
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[3-(4-chlorophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NSC(=N2)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations