Geometry & MOs

Info

ID:

234043

PubChem CID:

92297602

Reduced:

SO4N6C27H32 (1)

Stoich.:

AB4C6D27E32 (1)

Weight, g/mol:

542.21001

ΔHf, kcal/mol:

-92.44

Dipole, Da:

6.61

IP(EA), eV:

 -8.33(-0.98)

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-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=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

DOS

IR

Vibrations