Geometry & MOs

Info

ID:	433860
PubChem CID:	135174003
Reduced:	ClNSO4C15H24 (1)
Stoich.:	ABCD4E15F24 (1)
Weight, g/mol:	371.132193
ΔH_f, kcal/mol:	-171.8
Dipole, Da:	8.04
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aS)-3-(2-chloroethyl)-7a-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-(methylamino)-1-oxo-3a,4,5,6-tetrahydro-1-benzothiophen-7-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@]12[C@@H](C(CCC1=O)NC)C(C(=O)S2=O)CCCl)O

DOS

IR

Vibrations