Geometry & MOs

Info

ID:

164624

PubChem CID:

74427307

Reduced:

NS2O3C29H35 (1)

Stoich.:

AB2C3D29E35 (1)

Weight, g/mol:

645.31489

ΔHf, kcal/mol:

-60.23

Dipole, Da:

1.91

IP(EA), eV:

 -8.75(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[4-[[5-(2-fluoropropan-2-yl)pyridin-3-yl]-methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-propan-2-ylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCCCN(C)C2CC3CCC2C3OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O

DOS

IR

Vibrations