Geometry & MOs

Info

ID:

140644

PubChem CID:

52734727

Reduced:

OSN2C19H27 (1)

Stoich.:

ABC2D19E27 (1)

Weight, g/mol:

444.135508

ΔHf, kcal/mol:

-8.28

Dipole, Da:

2.66

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.112617

Charge, e:

0

Chem-info

IUPAC name:

5-[(2,4-dimethylphenoxy)methyl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)NC[C@H](C2=CC=CC=C2)[NH+](CC)CC

DOS

IR

Vibrations