Geometry & MOs

Info

ID:

16771

PubChem CID:

476633

Reduced:

N8O15C42H64 (1)

Stoich.:

A8B15C42D64 (1)

Weight, g/mol:

920.449113

ΔHf, kcal/mol:

-731.61

Dipole, Da:

9.78

IP(EA), eV:

 -9.4(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2R)-1-[[(2S)-4-carboxy-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N

DOS

IR

Vibrations