Geometry & MOs

Info

ID:	180031
PubChem CID:	76569027
Reduced:	SN2F3O3C24H29 (1)
Stoich.:	AB2C3D3E24F29 (1)
Weight, g/mol:	593.224339
ΔH_f, kcal/mol:	-225.42
Dipole, Da:	5.53
IP(EA), eV:	-9.11(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(4,6-dichloropyrimidine-5-carbonyl)amino]phenyl]cyclohexyl]acetate

Drug info:

PubChemData

Smile

CC(=NOCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)C3=CC=C(S3)CNCCC(=O)O

DOS

IR

Vibrations