Geometry & MOs

Info

ID:

85204

PubChem CID:

49872327

Reduced:

PN8O11C37H57 (1)

Stoich.:

AB8C11D37E57 (1)

Weight, g/mol:

784.297913

ΔHf, kcal/mol:

-565.82

Dipole, Da:

5.66

IP(EA), eV:

 -9.26(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] 2-thiophen-2-ylethyl hydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)C)OP(=O)(O)OCCCCCC3=CC=CC=C3

DOS

IR

Vibrations