Geometry & MOs

Info

ID:

299515

PubChem CID:

117687157

Reduced:

N9O12C27H41 (1)

Stoich.:

A9B12C27D41 (1)

Weight, g/mol:

669.271818

ΔHf, kcal/mol:

-525.04

Dipole, Da:

3.13

IP(EA), eV:

 -9.87(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1-methyltriazol-4-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)C[C@H](C(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)C(C(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)C

DOS

IR

Vibrations