Geometry & MOs

Info

ID:	157734
PubChem CID:	56436848
Reduced:	ClN2S2O3C18H23 (1)
Stoich.:	AB2C2D3E18F23 (1)
Weight, g/mol:	416.126963
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	1.59
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)CC1=CSC(=N1)C2=CC=C(S2)Cl

DOS

IR

Vibrations