Geometry & MOs

Info

ID:	433861
PubChem CID:	135174004
Reduced:	ClNSO3C18H26 (1)
Stoich.:	ABCD3E18F26 (1)
Weight, g/mol:	291.069592
ΔH_f, kcal/mol:	-116.31
Dipole, Da:	4.12
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-4-(2-chloroethyl)-1-[(1S)-1-hydroxy-2-methylpropyl]-6-methyl-2-oxo-2lambda4-thia-6-azabicyclo[3.2.0]hept-3-en-7-one

Drug info:

PubChemData

Smile

CNC1CCC(=O)[C@]2(C1C(=CS2=O)CCCl)[C@H]([C@H]3CCCC=C3)O

DOS

IR

Vibrations