Geometry & MOs

Info

ID:

425888

PubChem CID:

135129358

Reduced:

ClSO4N7C38H38 (1)

Stoich.:

ABC4D7E38F38 (1)

Weight, g/mol:

684.323125

ΔHf, kcal/mol:

-59.98

Dipole, Da:

6.14

IP(EA), eV:

 -8.28(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]-5-(methylcarbamoylamino)pentanoyl]amino]phenyl]methyl 4-formylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=C3C(=C12)C(CN3C(=O)C4=CC5=C(N4)C=CC(=C5)C6=CC7=C(N6)C=CC(=C7)NC(=O)CNC)CCl)OC(=O)N8CCN(CC8)C

DOS

IR

Vibrations