Geometry & MOs

Info

ID:

167041

PubChem CID:

74771100

Reduced:

SO2N4C21H23 (1)

Stoich.:

AB2C4D21E23 (1)

Weight, g/mol:

387.121906

ΔHf, kcal/mol:

4.21

Dipole, Da:

2.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.975919

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[3-[4-(cyanomethoxy)phenyl]prop-2-enoylamino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)[NH2+]C(C)C(=O)N

DOS

IR

Vibrations