Geometry & MOs

Info

ID:	313883
PubChem CID:	126618612
Reduced:	F2N5O5H21C24 (1)
Stoich.:	A2B5C5D21E24 (1)
Weight, g/mol:	383.145676
ΔH_f, kcal/mol:	-200.16
Dipole, Da:	3.25
IP(EA), eV:	-9.16(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-phenyl-4-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]carbamate

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC=CC(=C2F)/C=C/C(=O)O)C(=O)CN3C4=CC=CC=C4C(=N3)C(=O)N)F

DOS

IR

Vibrations