Geometry & MOs

Info

ID:

171009

PubChem CID:

75311661

Reduced:

N4O9C29H42 (1)

Stoich.:

A4B9C29D42 (1)

Weight, g/mol:

821.347305

ΔHf, kcal/mol:

-409.15

Dipole, Da:

7.43

IP(EA), eV:

 -8.71(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[2-[[2-[[2-[[1-acetyl-4-(3-phenylpropylideneamino)oxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCC(=O)NCCN1C2=C(C=C(C(=C2)C(=O)N(C3CCCN(C3)C(=O)OCOC(=O)OC)C(C)C)C)OC(C1=O)(C)C

DOS

IR

Vibrations