Geometry & MOs

Info

ID:

164346

PubChem CID:

74383515

Reduced:

O4N5C18H33 (2)

Stoich.:

A4B5C18D33 (2)

Weight, g/mol:

828.522159

ΔHf, kcal/mol:

-441.3

Dipole, Da:

4.54

IP(EA), eV:

 -9.29(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[2-[[2-[(2-acetamido-4-phenylbutanoyl)amino]-3-hydroxybutanoyl]amino]pentanoylamino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-propylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)N1CCC(C1)C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C

DOS

IR

Vibrations