Geometry & MOs

Info

ID:

191467

PubChem CID:

78149099

Reduced:

BBrN7O11C71H99 (1)

Stoich.:

ABC7D11E71F99 (1)

Weight, g/mol:

366.179087

ΔHf, kcal/mol:

-546.88

Dipole, Da:

8.59

IP(EA), eV:

 -9.29(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;tert-butyl N-(1-amino-3-phenylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CCCBr)NC(=O)C(CCCC)NC(=O)C(CCC(=O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)C(COC(C)(C)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)CCCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations