Geometry & MOs

Info

ID:	391854
PubChem CID:	135010259
Reduced:	BO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	448.13584
ΔH_f, kcal/mol:	-226.08
Dipole, Da:	4.02
IP(EA), eV:	-9.04(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)-2-[(1-phenyltriazol-4-yl)methyl]propanoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C([C@@H]3CC[C@H]([C@@H]2C)O3)C

DOS

IR

Vibrations