Geometry & MOs

Info

ID:

164326

PubChem CID:

74382899

Reduced:

N3H25C26 (1)

Stoich.:

A3B25C26 (1)

Weight, g/mol:

1282.606317

ΔHf, kcal/mol:

143.04

Dipole, Da:

3.82

IP(EA), eV:

 -8.02(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1CN(C2C13C(NC4=CC=CC=C34)N5C2C5C6=CC=CC=C6)CC7=CC=CC=C7

DOS

IR

Vibrations