Geometry & MOs

Info

ID:	402880
PubChem CID:	135057656
Reduced:	Cl2O2N7C26H27 (1)
Stoich.:	A2B2C7D26E27 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	51.76
Dipole, Da:	2.7
IP(EA), eV:	-8.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[4-(4-methylphenyl)triazol-1-yl]-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)(C1=CN(N=N1)C2=C(C(=O)N(N=C2)CC3=C(C=CC=C3Cl)Cl)N4CCN(CC4)C5=CC=CC=C5)O

DOS

IR

Vibrations