Geometry & MOs

Info

ID:

317307

PubChem CID:

126635497

Reduced:

O8N9C62H81 (1)

Stoich.:

A8B9C62D81 (1)

Weight, g/mol:

373.103103

ΔHf, kcal/mol:

-313.95

Dipole, Da:

3.28

IP(EA), eV:

 -8.52(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-sulfanylpyrazol-1-yl)-N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCC3=CC=CC=C23)NC(=O)C4=CC=C(C=C4)COC5=CC=C(C=C5)CN(C(=O)C6CCCCC6C(=O)NC7CCCC8=CC=CC=C78)NC(=O)[C@H](C)NC)C(C)(C)C)NC

DOS

IR

Vibrations