Geometry & MOs

Info

ID:

85203

PubChem CID:

49872325

Reduced:

PN8O12C36H55 (1)

Stoich.:

AB8C12D36E55 (1)

Weight, g/mol:

820.388442

ΔHf, kcal/mol:

-597.07

Dipole, Da:

14.83

IP(EA), eV:

 -9.25(-0.25)

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] 5-phenylpentyl 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]2C[C@H](CN2C(=O)C)OCCCCC3=CC=CC=C3)OP(=O)(O)O

DOS

IR

Vibrations