Geometry & MOs

Info

ID:

189056

PubChem CID:

77810532

Reduced:

SO2N6C38H48 (1)

Stoich.:

AB2C6D38E48 (1)

Weight, g/mol:

542.235162

ΔHf, kcal/mol:

-9.56

Dipole, Da:

5.81

IP(EA), eV:

 -8.4(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[4-(3-methoxyanilino)-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)C(=O)C2=CC(=CC(=C2)C(=O)NC(CCNCC3=CC(=CN=C3)C(C)C)CC4=CC=CC=C4)N5CCCCC5

DOS

IR

Vibrations