Geometry & MOs

Info

ID:

300494

PubChem CID:

121360239

Reduced:

SF2N2O5C32H32 (1)

Stoich.:

AB2C2D5E32F32 (1)

Weight, g/mol:

830.42278

ΔHf, kcal/mol:

-229.22

Dipole, Da:

4.21

IP(EA), eV:

 -9.07(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2R)-2-[5-[10-[2-[(2S)-1-[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-methylindolo[1,2-c]quinazolin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CNC(=O)C1=C(OC2=CC(=C(C=C21)[C@H]3CCCC(C3)C(=O)CC4=CC(=CC=C4)F)N(C)S(=O)(=O)C)C5=CC=C(C=C5)F

DOS

IR

Vibrations