Geometry & MOs

Info

ID:

160634

PubChem CID:

57389282

Reduced:

F3N3O4C27H28 (1)

Stoich.:

A3B3C4D27E28 (1)

Weight, g/mol:

528.234825

ΔHf, kcal/mol:

-280.62

Dipole, Da:

6.32

IP(EA), eV:

 -9.18(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methylbutyl]amino]pyrimidine-5-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=C(C=C3)C(=O)NC[C@H](C(=O)O)O

DOS

IR

Vibrations