Geometry & MOs

Info

ID:	33546
PubChem CID:	7886931
Reduced:	OS2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	420.148535
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	2.49
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations