Geometry & MOs

Info

ID:	32952
PubChem CID:	7849672
Reduced:	NSO5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	421.119523
ΔH_f, kcal/mol:	-166.76
Dipole, Da:	4.67
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[(2S)-2-(2-methyl-5-methylsulfonylbenzoyl)oxypropanoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C)C(=O)C2=C(NC3=CC=CC=C32)C

DOS

IR

Vibrations