Geometry & MOs

Info

ID:

188317

PubChem CID:

77699601

Reduced:

S2N4O8C35H38 (1)

Stoich.:

A2B4C8D35E38 (1)

Weight, g/mol:

706.213107

ΔHf, kcal/mol:

-234.5

Dipole, Da:

4.86

IP(EA), eV:

 -8.55(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl 3-[[1-[bis(thiophen-2-ylmethyl)amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]propanoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)N(CC4=CC=CS4)CC5=CC=CS5)C(=O)O

DOS

IR

Vibrations