Geometry & MOs

Info

ID:

388959

PubChem CID:

134990760

Reduced:

S2N3O7H23C28 (1)

Stoich.:

A2B3C7D23E28 (1)

Weight, g/mol:

922.34658

ΔHf, kcal/mol:

-70.41

Dipole, Da:

6.83

IP(EA), eV:

 -8.93(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2R)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-benzylsulfanyl-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=C=C(C3=CSC=C3)C(=O)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C

DOS

IR

Vibrations