Geometry & MOs

Info

ID:

434543

PubChem CID:

135175151

Reduced:

NC11H17 (1)

Stoich.:

AB11C17 (1)

Weight, g/mol:

1105.418618

ΔHf, kcal/mol:

57.16

Dipole, Da:

1.7

IP(EA), eV:

-8.68(0.24)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-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]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC(=C(C=C)C=C)C=C

DOS

IR

Vibrations