Geometry & MOs

Info

ID:

22992

PubChem CID:

600739

Reduced:

SO6N7C40H49 (1)

Stoich.:

AB6C7D40E49 (1)

Weight, g/mol:

755.346504

ΔHf, kcal/mol:

-179.48

Dipole, Da:

4.45

IP(EA), eV:

 -8.34(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[2-[[4-(dimethylamino)phenyl]methylideneamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CCSC)NC(=O)C(CC2=CNC3=CC=CC=C32)N=CC4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations