Geometry & MOs

Info

ID:	44149
PubChem CID:	10501208
Reduced:	BrSN2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	401.1223
ΔH_f, kcal/mol:	49.68
Dipole, Da:	7.47
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2S,3R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-2-yl]imidazole-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCC3=C(C2)SC4=NC(=CN34)C5=CC=C(C=C5)Br

DOS

IR

Vibrations