Geometry & MOs

Info

ID:

317198

PubChem CID:

126632876

Reduced:

ClN4H45C64 (1)

Stoich.:

AB4C45D64 (1)

Weight, g/mol:

476.215866

ΔHf, kcal/mol:

248.53

Dipole, Da:

4.18

IP(EA), eV:

 -8.09(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[(4-prop-2-enoyloxybutoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=CC(=NC(=N7)C8=CC(=CC=C8)Cl)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=CC3=C(C=C21)C(C1=CC=CC=C13)(C)C)C

DOS

IR

Vibrations