Geometry & MOs

Info

ID:	82684
PubChem CID:	49856339
Reduced:	BClNO2C18H33 (1)
Stoich.:	ABCD2E18F33 (1)
Weight, g/mol:	301.111422
ΔH_f, kcal/mol:	-226.47
Dipole, Da:	5.31
IP(EA), eV:	-8.96(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzamido-3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@@H](CC4CCCCC4)N.Cl

DOS

IR

Vibrations