Geometry & MOs

Info

ID:	174390
PubChem CID:	75759730
Reduced:	ClN2O4C30H37 (1)
Stoich.:	AB2C4D30E37 (1)
Weight, g/mol:	456.241293
ΔH_f, kcal/mol:	-138.64
Dipole, Da:	2.44
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-2-oxo-1-phenanthren-9-ylethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC(=CC=C2)OC)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations