Geometry & MOs

Info

ID:	434257
PubChem CID:	135174541
Reduced:	ClNSO2C11H18 (1)
Stoich.:	ABCD2E11F18 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	-118.51
Dipole, Da:	1.41
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R,5S)-4-(2-chloroethyl)-2-methyl-3,7-dioxo-2,6-diazabicyclo[3.2.0]heptan-1-yl]-2-[(1S)-cyclohex-2-en-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@]1(C(=O)NC(=CS1)CCCl)C)O

DOS

IR

Vibrations