Geometry & MOs

Info

ID:	197877
PubChem CID:	79009097
Reduced:	FON3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	317.104542
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	4.95
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC=C(C=C1)F)N

DOS

IR

Vibrations