Geometry & MOs

Info

ID:

171010

PubChem CID:

75311740

Reduced:

PN9O12C35H52 (1)

Stoich.:

AB9C12D35E52 (1)

Weight, g/mol:

822.367706

ΔHf, kcal/mol:

-550.3

Dipole, Da:

3.1

IP(EA), eV:

 -9.42(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[2-[[2-[[2-[[1-acetyl-4-(4-phenylbutoxy)pyrrolidine-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

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)NC(C(C)OP(=O)(O)O)C(=O)N)NC(=O)C2CC(CN2C(=O)C)ON=CCCC3=CC=CC=C3

DOS

IR

Vibrations