Geometry & MOs

Info

ID:

375644

PubChem CID:

134214236

Reduced:

O7N17C47H97 (1)

Stoich.:

A7B17C47D97 (1)

Weight, g/mol:

1424.805918

ΔHf, kcal/mol:

-379.54

Dipole, Da:

5.81

IP(EA), eV:

 -8.74(1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[N'-[(5R)-5-amino-6-[3-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]naphthalen-1-yl]oxyethyl-[3-[[(2R)-6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propyl]amino]propylamino]-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

COCCN(CCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCCCN=C(N)N)N)N)CCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCCCN=C(N)N)N)N

DOS

IR

Vibrations