Geometry & MOs

Info

ID:	276349
PubChem CID:	103822342
Reduced:	ClINO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	408.99417
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	5.11
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(5-chloro-2-iodobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C1CCOC(C1)C(=O)NC2=C(C=C(C=C2)Cl)I

DOS

IR

Vibrations