Geometry & MOs

Info

ID:

376637

PubChem CID:

134222658

Reduced:

FSO2N4C30H35 (1)

Stoich.:

ABC2D4E30F35 (1)

Weight, g/mol:

520.250812

ΔHf, kcal/mol:

-74.48

Dipole, Da:

8.1

IP(EA), eV:

 -8.92(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-thiophen-3-ylpyridin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCC(CC1)CC(=O)NC2=CC(=C(N=C2)C3=CC=C(C=C3)C4(CC(C4)F)N)C5=CSC=C5

DOS

IR

Vibrations