Geometry & MOs

Info

ID:	217724
PubChem CID:	85088273
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	392.231122
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	3.42
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-5-(N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(=CC(=O)N(C)CC1=CC=C(C=C1)NC(=O)C)C2=CC3=C(NC(=O)CC3)N=C2

DOS

IR

Vibrations