Geometry & MOs

Info

ID:

340063

PubChem CID:

127262072

Reduced:

O7N10C37H56 (1)

Stoich.:

A7B10C37D56 (1)

Weight, g/mol:

635.390751

ΔHf, kcal/mol:

-291.96

Dipole, Da:

6.72

IP(EA), eV:

 -8.9(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCN([C@@H](CCCN=C(N)N)C(=O)N)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations