Geometry & MOs

Info

ID:	233941
PubChem CID:	92252625
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	6.97
IP(EA), eV:	-8.08(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,3aR,5R)-1-hydroxy-1,2,3,3a,4,5-hexahydroacenaphthylen-5-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=C(N2C)C=CS3)C4=CC=CC=C4

DOS

IR

Vibrations