Geometry & MOs

Info

ID:	33533
PubChem CID:	7886853
Reduced:	OS2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	360.11215
ΔH_f, kcal/mol:	-25.09
Dipole, Da:	1.81
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations