Geometry & MOs

Info

ID:	395258
PubChem CID:	135025033
Reduced:	ClINSO4H19C23 (1)
Stoich.:	ABCDE4F19G23 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	5.99
IP(EA), eV:	-8.76(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[(1R,4R)-2-(2,3-dimethoxyphenyl)-4-hydroxycyclohex-2-en-1-yl]-2-hydroxyethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO/C=C(\CS(=O)(=O)C2=CC=CC=C2)/N(C=O)C3=C(C=C(C=C3)Cl)I

DOS

IR

Vibrations