Geometry & MOs

Info

ID:

297713

PubChem CID:

117626650

Reduced:

NO4C30H45 (1)

Stoich.:

AB4C30D45 (1)

Weight, g/mol:

1019.467406

ΔHf, kcal/mol:

-208.37

Dipole, Da:

4.75

IP(EA), eV:

 -9.28(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-5-methoxy-N-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H](C[C@@H]1CO)O)[C@H]2CC[C@]3([C@H]([C@@H]2CNC(=O)OC(C)(C)C)CC=C3C4=CC=CC=C4)C

DOS

IR

Vibrations