Geometry & MOs

Info

ID:

219936

PubChem CID:

85165064

Reduced:

BrSi2O8C26H43 (1)

Stoich.:

AB2C8D26E43 (1)

Weight, g/mol:

619.274795

ΔHf, kcal/mol:

-477.69

Dipole, Da:

1.85

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[3-(acetamidomethylsulfanyl)-2-[(2-amino-3-methylbutanoyl)amino]propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)[Si]1(OC2C(C(OC(C2Br)(C(=O)OC)O)OCC3=CC=CC=C3)O[Si](O1)(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations