Geometry & MOs

Info

ID:	434854
PubChem CID:	135175831
Reduced:	SN4O4C29H42 (1)
Stoich.:	AB4C4D29E42 (1)
Weight, g/mol:	605.274858
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	1.68
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-[2-[2-[2-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(C4CCCCC4)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(C4CCCCC4)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):