Geometry & MOs

Info

ID:	344007
PubChem CID:	127267183
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	328.118985
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	8.78
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-chloro-3-[[(2R)-2-hydroxypropyl]carbamoylamino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(C)NC(=O)NC2=CC=CC3=C2C=CNC3=O

DOS

IR

Vibrations