Geometry & MOs

Info

ID:	34378
PubChem CID:	7891019
Reduced:	NO5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	2.84
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations