Geometry & MOs

Info

ID:	185335
PubChem CID:	77287670
Reduced:	N3O3S3C16H19 (1)
Stoich.:	A3B3C3D16E19 (1)
Weight, g/mol:	421.112999
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	2.89
IP(EA), eV:	-8.49(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=C1)NCC2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

DOS

IR

Vibrations