Geometry & MOs

Info

ID:	148786
PubChem CID:	53788455
Reduced:	S2N3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	324.120903
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	3.42
IP(EA), eV:	-9.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(3,4,5-trimethoxyphenyl)methylidene]butanedioate

Drug info:

PubChemData

Smile

C1CSC[C@@H](C(=O)N1CC=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations