Geometry & MOs

Info

ID:	155473
PubChem CID:	56365775
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	483.248169
ΔH_f, kcal/mol:	-113.49
Dipole, Da:	3.35
IP(EA), eV:	-8.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethylamino)-3-nitro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations