Geometry & MOs

Info

ID:	156784
PubChem CID:	56385614
Reduced:	S2O4N5C18H21 (1)
Stoich.:	A2B4C5D18E21 (1)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	3.7
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=NN2C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations