Geometry & MOs

Info

ID:	245053
PubChem CID:	99432261
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	3.71
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC3=CC=CC=C3N=C2N4CCCC4)C

DOS

IR

Vibrations