Geometry & MOs

Info

ID:	447403
PubChem CID:	135282603
Reduced:	ClFN4O4C34H36 (1)
Stoich.:	ABC4D4E34F36 (1)
Weight, g/mol:	379.170748
ΔH_f, kcal/mol:	-110.82
Dipole, Da:	8.55
IP(EA), eV:	-8.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-[2,5-difluoro-4-(6-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=C4)C#N)(C5=CC=C(C=C5)Cl)OCC6(CC6)CO)O

DOS

IR

Vibrations