Geometry & MOs

Info

ID:

215581

PubChem CID:

85084934

Reduced:

O7N17C52H79 (1)

Stoich.:

A7B17C52D79 (1)

Weight, g/mol:

1053.383983

ΔHf, kcal/mol:

-224.34

Dipole, Da:

8.8

IP(EA), eV:

 -9.24(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)N5CN(C6(C5=O)CCN(CC6)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C7=CC=CC=C7)C(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations