Geometry & MOs

Info

ID:

17047

PubChem CID:

482860

Reduced:

O6N15C36H49 (1)

Stoich.:

A6B15C36D49 (1)

Weight, g/mol:

787.399024

ΔHf, kcal/mol:

-143.24

Dipole, Da:

9.19

IP(EA), eV:

 -8.43(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[6-[[5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-3-carbonyl]amino]-1-methylpyrrole-3-carbonyl]amino]hexanoylamino]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCNC(=O)C3=CN(C(=C3)NC(=O)C4=CN(C(=C4)NC(=O)CN=C(N)N)C)C

DOS

IR

Vibrations