Geometry & MOs

Info

ID:

215304

PubChem CID:

85084515

Reduced:

O12C45H70 (1)

Stoich.:

A12B45C70 (1)

Weight, g/mol:

804.399267

ΔHf, kcal/mol:

-570.77

Dipole, Da:

5.01

IP(EA), eV:

 -8.81(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-4-methylpentanoyl]amino]-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)OC)OC)C)O)C)C4C(CC(O4)C5C(CC(C6(O5)COC(O6)C7=CC=C(C=C7)OC)C)C)C

DOS

IR

Vibrations