Geometry & MOs

Info

ID:

234081

PubChem CID:

92297680

Reduced:

SO4N6C28H34 (1)

Stoich.:

AB4C6D28E34 (1)

Weight, g/mol:

556.22566

ΔHf, kcal/mol:

-98.03

Dipole, Da:

9.35

IP(EA), eV:

 -8.36(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-2-(benzylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@H](C2=CC=C(C=C2)N(C)C)C(=O)NC[C@H]3CCCO3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations