Geometry & MOs

Info

ID:

426119

PubChem CID:

135140725

Reduced:

NOC9H13 (4)

Stoich.:

ABC9D13 (4)

Weight, g/mol:

1199.60784

ΔHf, kcal/mol:

-180.78

Dipole, Da:

6.74

IP(EA), eV:

 -8.59(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-[4-[[(2S)-2-[[2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]benzoyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)CC3=CC=CC=C3)[C@@H](C(C)(C)C)NCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations