Geometry & MOs

Info

ID:	134734
PubChem CID:	51747596
Reduced:	N2O4C33H44 (1)
Stoich.:	A2B4C33D44 (1)
Weight, g/mol:	530.260314
ΔH_f, kcal/mol:	-155.6
Dipole, Da:	1.33
IP(EA), eV:	-8.63(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[(1S)-2-oxo-1-phenanthren-9-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(CC2=CC=CO2)C(=O)CCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations