Geometry & MOs

Info

ID:	398151
PubChem CID:	135032005
Reduced:	N2O5C16H16 (1)
Stoich.:	A2B5C16D16 (1)
Weight, g/mol:	626.96646
ΔH_f, kcal/mol:	-205.22
Dipole, Da:	3.17
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [(4R,5R)-1,3-diacetyl-5-[2-(4-iodo-N-methylsulfonylanilino)-2-oxoethyl]-2-oxoimidazolidin-4-yl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CC1=C2[C@H]3[C@@H](CC(=O)C2=C(C=C1)O)N(C(=O)N3C(=O)C)C(=O)C

DOS

IR

Vibrations