Geometry & MOs

Info

ID:

188074

PubChem CID:

77665994

Reduced:

O2N5C39H55 (1)

Stoich.:

A2B5C39D55 (1)

Weight, g/mol:

532.232185

ΔHf, kcal/mol:

-69.86

Dipole, Da:

4.05

IP(EA), eV:

 -8.49(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[(6-methylpyridine-2-carbonyl)amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=C(C(=CN2)CCC(C)(C)C(=O)C3C4CCN3CC4)C(C)CNCCC5=CC=C(C=C5)N(C(C)C)C(=O)N)C

DOS

IR

Vibrations