Geometry & MOs

Info

ID:

322296

PubChem CID:

126669628

Reduced:

ClON6C19H27 (1)

Stoich.:

ABC6D19E27 (1)

Weight, g/mol:

897.453745

ΔHf, kcal/mol:

18.03

Dipole, Da:

2.87

IP(EA), eV:

 -8.46(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-10-[2-[[butyl-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]methyl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1CC(N(C1)C2CCN(CC2)C3=NNC(=N3)N)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations