Geometry & MOs

Info

ID:

433132

PubChem CID:

135173269

Reduced:

SN2O4C23H24 (1)

Stoich.:

AB2C4D23E24 (1)

Weight, g/mol:

881.422445

ΔHf, kcal/mol:

-44.73

Dipole, Da:

7.77

IP(EA), eV:

 -9.17(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-[[amino(methoxy)methylidene]amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC(=O)C(=CO1)OCC2=CC=C(C=C2)S(=N)(=O)C)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations