Geometry & MOs

Info

ID:	33708
PubChem CID:	7887583
Reduced:	N2O2C18H27 (1)
Stoich.:	A2B2C18D27 (1)
Weight, g/mol:	361.096165
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756137
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)[C@@H](C)[NH+]2CCC3=CC=CC=C3C2

DOS

IR

Vibrations