Geometry & MOs

Info

ID:

313549

PubChem CID:

126615801

Reduced:

NO2S2H13C19 (1)

Stoich.:

AB2C2D13E19 (1)

Weight, g/mol:

1083.481417

ΔHf, kcal/mol:

14.86

Dipole, Da:

2.78

IP(EA), eV:

 -8.57(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[4-[4-[(3S)-4-[3-[4-[(3S)-4-anilino-3-(morpholine-4-carbonylamino)-4-oxobutanoyl]piperazin-2-yl]anilino]-3-(furan-2-carbonylamino)-4-oxobutanoyl]piperazin-1-yl]anilino]-4-hydroxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(=CC1N2C(=O)C3=CC=CC=C3C2=O)C4=CC5=C(S4)C=CS5

DOS

IR

Vibrations