Geometry & MOs

Info

ID:

325778

PubChem CID:

126684918

Reduced:

NC15H25 (1)

Stoich.:

AB15C25 (1)

Weight, g/mol:

970.491688

ΔHf, kcal/mol:

-29.39

Dipole, Da:

1.46

IP(EA), eV:

-7.92(0.8)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-fluoroethyl N-[(2S)-1-[(2S)-2-[6-[(2R)-11-[2-[(2S)-1-[(2S)-2-(2-fluoroethoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-methyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C(C)C)C(C)C)C)N)C

DOS

IR

Vibrations