Geometry & MOs

Info

ID:

168769

PubChem CID:

75016442

Reduced:

OC8H13 (2)

Stoich.:

AB8C13 (2)

Weight, g/mol:

647.41188

ΔHf, kcal/mol:

-113.28

Dipole, Da:

1.14

IP(EA), eV:

 -9.36(1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-phenylbutanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1(CCCC2(C1CC=C3C2C(OC3)OC)C)C

DOS

IR

Vibrations