Geometry & MOs

Info

ID:	62818
PubChem CID:	26737014
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	-120.49
Dipole, Da:	4.75
IP(EA), eV:	-9.31(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC(=N2)C3=CC=CC=N3)C(=O)OC

DOS

IR

Vibrations