Geometry & MOs

Info

ID:	427094
PubChem CID:	135155449
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	655.208312
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	3.13
IP(EA), eV:	-8.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-3-[3-aminopropyl(methyl)amino]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-sulfinoamino]-6-cyclopentyloxynaphthalene

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3)C=N2)OCCCN4CCCC4

DOS

IR

Vibrations