Geometry & MOs

Info

ID:

427321

PubChem CID:

135157120

Reduced:

ClFN5O6C30H37 (1)

Stoich.:

ABC5D6E30F37 (1)

Weight, g/mol:

1121.413533

ΔHf, kcal/mol:

-237.9

Dipole, Da:

1.64

IP(EA), eV:

 -8.96(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)O)OCCOCCN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

DOS

IR

Vibrations