Geometry & MOs

Info

ID:	36257
PubChem CID:	7982574
Reduced:	N3O4H19C24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	422.223929
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	2.15
IP(EA), eV:	-9.28(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations