Geometry & MOs

Info

ID:	167497
PubChem CID:	74836364
Reduced:	Cl2O2N6C31H42 (1)
Stoich.:	A2B2C6D31E42 (1)
Weight, g/mol:	610.250144
ΔH_f, kcal/mol:	-77.79
Dipole, Da:	5.92
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-N-propan-2-yl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2CCN(CC2)C(=O)C(CC3=C(C=C(C=C3)Cl)Cl)NC(=O)N4CCCC4)NCCN5CCCC5

DOS

IR

Vibrations