Geometry & MOs

Info

ID:	157769
PubChem CID:	56437095
Reduced:	ClN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	380.211136
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	3.09
IP(EA), eV:	-8.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-[(4-fluorobenzoyl)amino]butanoyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations