Geometry & MOs

Info

ID:	124307
PubChem CID:	50878122
Reduced:	ClNSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	416.079055
ΔH_f, kcal/mol:	-23.65
Dipole, Da:	2.33
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-ylmethylamino)-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2=O)C(=O)CCCl

DOS

IR

Vibrations