Geometry & MOs

Info

ID:	200217
PubChem CID:	79364000
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	3.73
IP(EA), eV:	-9.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)N2CCC(C2C)C(=O)O)C

DOS

IR

Vibrations