Geometry & MOs

Info

ID:	447351
PubChem CID:	135282196
Reduced:	ClO3N5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	386.172974
ΔH_f, kcal/mol:	-88.98
Dipole, Da:	6.11
IP(EA), eV:	-9.53(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyrimidin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=N1)C2=NC(=NC=C2)N(C)C(=O)O)Cl)N

DOS

IR

Vibrations