Geometry & MOs

Info

ID:	133153
PubChem CID:	51485351
Reduced:	NSO5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	407.103873
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	4.88
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations