Geometry & MOs

Info

ID:

448101

PubChem CID:

135288487

Reduced:

ClSO11N13C64H90 (1)

Stoich.:

ABC11D13E64F90 (1)

Weight, g/mol:

326.166414

ΔHf, kcal/mol:

-402.49

Dipole, Da:

1.34

IP(EA), eV:

 -8.77(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-hydroxy-2-methylpropyl)amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C=CC=C2C(=O)NC3CCC(CC3)C(=O)NCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCN4CCN(CC4)C5=NC(=NC(=C5)NC6=NC=C(S6)C(=O)NC7=C(C=CC=C7Cl)C)C

DOS

IR

Vibrations