Geometry & MOs

Info

ID:

164212

PubChem CID:

74382333

Reduced:

SO3N8C25H30 (1)

Stoich.:

AB3C8D25E30 (1)

Weight, g/mol:

1223.619976

ΔHf, kcal/mol:

3.29

Dipole, Da:

4.45

IP(EA), eV:

 -8.73(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]-4-aminopyrrolidine-2-carbonyl]amino]-N-[1-[[1-[2-[[1-[[1-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=N2)C3=NC(=C4C=C(SC4=N3)CN5CCN(CC5)CC(C=O)O)N6CCOCC6

DOS

IR

Vibrations