Geometry & MOs

Info

ID:	185033
PubChem CID:	77243347
Reduced:	ClN5O5C23H24 (1)
Stoich.:	AB5C5D23E24 (1)
Weight, g/mol:	377.079678
ΔH_f, kcal/mol:	-174.05
Dipole, Da:	6.01
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-chloro-N-(2-chloroethyl)anilino]-2,3-dihydroxy-4-oxobutanoate

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)N3CCOC(C3=O)C(C(=O)NC4=CC5=C(C=C4)C(=NC5)N)O.Cl

DOS

IR

Vibrations