Geometry & MOs

Info

ID:

168782

PubChem CID:

75018327

Reduced:

N2O3C20H22 (1)

Stoich.:

A2B3C20D22 (1)

Weight, g/mol:

631.271424

ΔHf, kcal/mol:

-90.7

Dipole, Da:

8.48

IP(EA), eV:

 -9.18(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1-carboxy-2-hydroxyethyl)amino]-3-[[2-[[5-(diaminomethylideneamino)-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonylamino)pentanoyl]amino]acetyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1CN)N(C(=O)OC2=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations