Geometry & MOs

Info

ID:	387156
PubChem CID:	134984224
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-40.54
Dipole, Da:	6.62
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[(E)-pent-1-enyl]-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C(=C)C

DOS

IR

Vibrations