Geometry & MOs

Info

ID:

187158

PubChem CID:

77536774

Reduced:

O2N3C16H19 (2)

Stoich.:

A2B3C16D19 (2)

Weight, g/mol:

621.258518

ΔHf, kcal/mol:

-63.34

Dipole, Da:

3.4

IP(EA), eV:

 -8.57(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]-1-N-[3-hydroxy-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-1-phenylbutan-2-yl]-3-N-methylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN(C)C(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CN(C)C4=CN=CC(=C4)C(C)C)O

DOS

IR

Vibrations