Geometry & MOs

Info

ID:	163325
PubChem CID:	57745048
Reduced:	ClO4N7H22C29 (1)
Stoich.:	AB4C7D22E29 (1)
Weight, g/mol:	324.132136
ΔH_f, kcal/mol:	5.56
Dipole, Da:	5.69
IP(EA), eV:	-8.91(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-3-(4-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)[C@@H](CC2=CN=CN2)N)C3=C/C(=C/4\C=CC(=CC4=O)Cl)/NC(=C3C#N)NC(=O)C5=CC=CO5

DOS

IR

Vibrations