Geometry & MOs

Info

ID:

164335

PubChem CID:

74383021

Reduced:

O6N7C37H55 (1)

Stoich.:

A6B7C37D55 (1)

Weight, g/mol:

677.437701

ΔHf, kcal/mol:

-270.91

Dipole, Da:

6.81

IP(EA), eV:

 -9.08(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-N-[1-(4-carbamimidoyl-1,4-diazepan-1-yl)-5-(methylamino)-1-oxopentan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCNC(C)C)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

DOS

IR

Vibrations