Geometry & MOs

Info

ID:

315271

PubChem CID:

126625360

Reduced:

N5O8C56H57 (1)

Stoich.:

A5B8C56D57 (1)

Weight, g/mol:

410.282095

ΔHf, kcal/mol:

-191.65

Dipole, Da:

4.9

IP(EA), eV:

 -8.84(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylbutan-2-yl 4-[2-[4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1CN(CCC1COC(=O)C(C2=CC=CC=C2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)C(=O)NCCNC(=O)C5=CC=C(C=C5)CNC[C@@H](C6=C7C=CC(=O)NC7=C(C=C6)O)O)CC8=CC=CC=C8

DOS

IR

Vibrations