Geometry & MOs

Info

ID:	185343
PubChem CID:	77287909
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	417.118084
ΔH_f, kcal/mol:	-84.21
Dipole, Da:	3.98
IP(EA), eV:	-8.8(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-oxo-5-[(2-prop-1-en-2-ylanilino)methyl]pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NCC3CCC(=O)N3CCSC4=NC(=CS4)C(=O)O

DOS

IR

Vibrations