Geometry & MOs

Info

ID:

214914

PubChem CID:

85083842

Reduced:

ClPN4O10C27H36 (1)

Stoich.:

ABC4D10E27F36 (1)

Weight, g/mol:

639.297639

ΔHf, kcal/mol:

-501.39

Dipole, Da:

5.6

IP(EA), eV:

 -9.77(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[6-amino-2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CCC(O2)COP(=O)(C(C3=CC=C(C=C3)Cl)O)OCC4CCC(O4)N5CC(C(=O)NC5=O)C

DOS

IR

Vibrations