Geometry & MOs

Info

ID:	34304
PubChem CID:	7890702
Reduced:	SN2O4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	363.147058
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	3.21
IP(EA), eV:	-8.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations