Geometry & MOs

Info

ID:	158746
PubChem CID:	56468297
Reduced:	FOSN8H19C20 (1)
Stoich.:	ABCD8E19F20 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	80.87
Dipole, Da:	12.35
IP(EA), eV:	-9.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-anilinopyrrolidine-1-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)N4C(=NN=N4)C

DOS

IR

Vibrations