Geometry & MOs

Info

ID:

299632

PubChem CID:

117688229

Reduced:

SN4O4C23H27 (1)

Stoich.:

AB4C4D23E27 (1)

Weight, g/mol:

159.089543

ΔHf, kcal/mol:

-56.35

Dipole, Da:

2.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753256

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C1=C/C(=C\2/NNC(=S)N2CC3=CC=CC=C3[N+]4(CCOCC4)C=O)/C(=O)C=C1O

DOS

IR

Vibrations