Geometry & MOs

Info

ID:	447318
PubChem CID:	135281991
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	526.240305
ΔH_f, kcal/mol:	-2.7
Dipole, Da:	5.55
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-[(2S)-2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CC(=NC=N2)N)OC[C@](C)(CC(C)C)N

DOS

IR

Vibrations