Geometry & MOs

Info

ID:

188981

PubChem CID:

77796783

Reduced:

F3O7N9C25H36 (1)

Stoich.:

A3B7C9D25E36 (1)

Weight, g/mol:

517.276115

ΔHf, kcal/mol:

-408.78

Dipole, Da:

8.47

IP(EA), eV:

 -9.48(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[(4-carbamimidoylphenyl)methyl]-N'-prop-2-enylpropanediamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations