Geometry & MOs

Info

ID:

215302

PubChem CID:

85084513

Reduced:

O15C41H70 (1)

Stoich.:

A15B41C70 (1)

Weight, g/mol:

802.517743

ΔHf, kcal/mol:

-763.5

Dipole, Da:

2.15

IP(EA), eV:

 -9.96(0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(CO)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C)O)C

DOS

IR

Vibrations