Geometry & MOs

Info

ID:	424803
PubChem CID:	135123973
Reduced:	N3O4C28H31 (1)
Stoich.:	A3B4C28D31 (1)
Weight, g/mol:	501.262757
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	2.26
IP(EA), eV:	-8.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC)C4=CC=NN4C5CCOCC5)C6(C2=O)CCC6

DOS

IR

Vibrations