Geometry & MOs

Info

ID:

403848

PubChem CID:

135062198

Reduced:

BNSiO4C27H34 (1)

Stoich.:

ABCD4E27F34 (1)

Weight, g/mol:

565.32642

ΔHf, kcal/mol:

-220.91

Dipole, Da:

2.96

IP(EA), eV:

 -9.06(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-[benzamido(benzyl)amino]-2-diazonio-1-(2,4-dimethylpentan-3-yloxy)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-1-olate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C(/CCCN2C(=O)C3=CC=CC=C3C2=O)\[Si](C)(C)C4=CC=CC=C4

DOS

IR

Vibrations