Geometry & MOs

Info

ID:	185333
PubChem CID:	77287618
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	423.074505
ΔH_f, kcal/mol:	-83.01
Dipole, Da:	5.98
IP(EA), eV:	-9.3(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(4-methylsulfanylanilino)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O)N

DOS

IR

Vibrations