Geometry & MOs

Info

ID:	218539
PubChem CID:	85089592
Reduced:	N3O3C11H17 (2)
Stoich.:	A3B3C11D17 (2)
Weight, g/mol:	478.177372
ΔH_f, kcal/mol:	-247.83
Dipole, Da:	4.23
IP(EA), eV:	-9.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations