Geometry & MOs

Info

ID:	48636
PubChem CID:	11110199
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	326.039499
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	3.6
IP(EA), eV:	-9.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(Z)-(5-methoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]pyrrolidine-2-carbothialdehyde

Drug info:

PubChemData

Smile

CC1=C2CC=C3C([C@]24[C@@H]([C@@H]5[C@H]1[C@](C4=O)(OC5)OC)C=C)CCC3=O

DOS

IR

Vibrations