Geometry & MOs

Info

ID:	238639
PubChem CID:	92764077
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	444.11775
ΔH_f, kcal/mol:	-115.8
Dipole, Da:	3.29
IP(EA), eV:	-8.68(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3R)-3-(4-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)/C=C\2/C(=O)N(C(=N2)S[C@@H](C)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations