Geometry & MOs

Info

ID:

310209

PubChem CID:

126576793

Reduced:

N2C27H30 (1)

Stoich.:

A2B27C30 (1)

Weight, g/mol:

570.320606

ΔHf, kcal/mol:

48.78

Dipole, Da:

4.51

IP(EA), eV:

 -8.57(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S,4S)-4-(methoxymethyl)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](C1)C2=NC=C(N2)C3=CC=C(C=C3)C4=C5C6CCC(C6)C5=C(C=C4)C

DOS

IR

Vibrations