Geometry & MOs

Info

ID:	133251
PubChem CID:	51497892
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	4.16
IP(EA), eV:	-9.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylbutyl]-2,5-dihydropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(CCC2)C=C1)NC(=O)CCN3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations