Geometry & MOs

Info

ID:

191762

PubChem CID:

78185555

Reduced:

N6O9C37H54 (1)

Stoich.:

A6B9C37D54 (1)

Weight, g/mol:

669.373764

ΔHf, kcal/mol:

-406.13

Dipole, Da:

7.98

IP(EA), eV:

 -9.43(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[2-[[2-hydroxy-4-phenyl-3-[2-(phenylmethoxycarbonylamino)propanoylamino]butyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CNCC(C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations