Geometry & MOs

Info

ID:	185342
PubChem CID:	77287868
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	431.133734
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	4.36
IP(EA), eV:	-8.33(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-oxo-5-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations