Geometry & MOs

Info

ID:

168851

PubChem CID:

75027919

Reduced:

ClON2C19H19 (1)

Stoich.:

ABC2D19E19 (1)

Weight, g/mol:

864.481751

ΔHf, kcal/mol:

23.56

Dipole, Da:

4.11

IP(EA), eV:

 -8.58(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoyl]amino]-3-methylpentanamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations