Geometry & MOs

Info

ID:	45889
PubChem CID:	10518742
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-167.1
Dipole, Da:	2.18
IP(EA), eV:	-9.0(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2S)-2-[(4-methylphenyl)carbamothioylamino]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@]2(C=C[C@@]3(CCCO3)[C@@]4([C@@]25CCCO5)CCCO4)OC1

DOS

IR

Vibrations