Geometry & MOs

Info

ID:	135687
PubChem CID:	51915836
Reduced:	ClN2O7H17C24 (1)
Stoich.:	AB2C7D17E24 (1)
Weight, g/mol:	429.135842
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	9.08
IP(EA), eV:	-9.14(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations