Geometry & MOs

Info

ID:

168968

PubChem CID:

75047403

Reduced:

ClO2N4H19C21 (1)

Stoich.:

AB2C4D19E21 (1)

Weight, g/mol:

943.469807

ΔHf, kcal/mol:

27.71

Dipole, Da:

5.99

IP(EA), eV:

 -8.13(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[1-[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NC=CC(=C2)C=NNC(=O)C3=CC(=C(C=C3)O)Cl

DOS

IR

Vibrations