Geometry & MOs

Info

ID:

45201

PubChem CID:

10509253

Reduced:

N3O5C19H23 (2)

Stoich.:

A3B5C19D23 (2)

Weight, g/mol:

750.282883

ΔHf, kcal/mol:

-410.75

Dipole, Da:

8.1

IP(EA), eV:

 -9.01(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-hydroxyphenyl)butan-2-yl 4-(2-methoxycarbonyl-6-phenylmethoxybenzoyl)-3,5-bis(phenylmethoxy)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/NC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)CN3[C@H](C(=O)N4[C@H](C3=O)C5CCC4CC5)CC(=O)O

DOS

IR

Vibrations