Geometry & MOs

Info

ID:	426343
PubChem CID:	135143531
Reduced:	ClN3H18C21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	477.208613
ΔH_f, kcal/mol:	111.56
Dipole, Da:	3.73
IP(EA), eV:	-9.18(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[4-(hydroxymethyl)-5-methylthiophen-2-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C/C=C\C=C(/C)\C1=NC(=NC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations