Geometry & MOs

Info

ID:

316947

PubChem CID:

126632123

Reduced:

SN2H18C31 (3)

Stoich.:

AB2C18D31 (3)

Weight, g/mol:

392.158351

ΔHf, kcal/mol:

459.1

Dipole, Da:

1.24

IP(EA), eV:

 -8.36(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[(2-prop-2-enoyloxyethoxyamino)methyl]phenyl]methylcarbamoyloxy]ethyl prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=NC(=NC(=N5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1S2

DOS

IR

Vibrations