Geometry & MOs

Info

ID:	344008
PubChem CID:	127267184
Reduced:	ClN2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	342.134635
ΔH_f, kcal/mol:	-193.48
Dipole, Da:	4.71
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-chloro-3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)NC1=C(C=CC(=C1)C(=O)OC(C)(C)C)Cl)O

DOS

IR

Vibrations