Geometry & MOs

Info

ID:	141530
PubChem CID:	52890161
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-15.44
Dipole, Da:	6.76
IP(EA), eV:	-8.45(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC)C)C

DOS

IR

Vibrations