Geometry & MOs

Info

ID:	243937
PubChem CID:	99302922
Reduced:	N2O2C12H17 (2)
Stoich.:	A2B2C12D17 (2)
Weight, g/mol:	448.250812
ΔH_f, kcal/mol:	-123.73
Dipole, Da:	5.02
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CN(CCC(=O)OCC)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C

DOS

IR

Vibrations