Geometry & MOs

Info

ID:

215315

PubChem CID:

85084533

Reduced:

FSN5O8C43H44 (1)

Stoich.:

ABC5D8E43F44 (1)

Weight, g/mol:

809.475937

ΔHf, kcal/mol:

-252.48

Dipole, Da:

14.58

IP(EA), eV:

 -8.96(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[[1-[1-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations