Geometry & MOs

Info

ID:

234378

PubChem CID:

92298297

Reduced:

SN5O6C27H31 (1)

Stoich.:

AB5C6D27E31 (1)

Weight, g/mol:

539.22024

ΔHf, kcal/mol:

-170.49

Dipole, Da:

1.92

IP(EA), eV:

 -8.52(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(3-methoxyphenyl)methyl]-5-N-[(1S)-1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)OC)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations