Geometry & MOs

Info

ID:	185615
PubChem CID:	77320889
Reduced:	O8C33H46 (1)
Stoich.:	A8B33C46 (1)
Weight, g/mol:	533.198442
ΔH_f, kcal/mol:	-345.83
Dipole, Da:	5.55
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-cyanophenyl)-1-[(2-ethoxycarbonylcyclopentyl)-methylamino]-1-oxopropan-2-yl]-sulfinoamino]naphthalene

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=CC(=C1OC)OC)C2CC(=O)C3=C(O2)C=C(C(=C3OC)CCC(C)(C)O)O)CCCC(C)(C)O

DOS

IR

Vibrations