Geometry & MOs

Info

ID:

16844

PubChem CID:

477482

Reduced:

SO3N4H18C21 (1)

Stoich.:

AB3C4D18E21 (1)

Weight, g/mol:

406.109962

ΔHf, kcal/mol:

-21.19

Dipole, Da:

4.95

IP(EA), eV:

-8.91(-1.22)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-hydrazinyl-N-[3-[(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=O)OC(=N2)CC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)NN

DOS

IR

Vibrations