Geometry & MOs

Info

ID:

219072

PubChem CID:

85090448

Reduced:

SN3O5C30H33 (1)

Stoich.:

AB3C5D30E33 (1)

Weight, g/mol:

547.336984

ΔHf, kcal/mol:

-153.95

Dipole, Da:

9.32

IP(EA), eV:

 -9.06(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4C5C(CN4CC6=CC=CC=C6)C(=O)N(C5=O)C7=CC=CC=C7)C

DOS

IR

Vibrations