Geometry & MOs

Info

ID:	447636
PubChem CID:	135284362
Reduced:	O3N6C49H86 (1)
Stoich.:	A3B6C49D86 (1)
Weight, g/mol:	460.13359
ΔH_f, kcal/mol:	-205.6
Dipole, Da:	3.99
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-chloro-4-[2-(1,3-thiazol-2-ylamino)pyridin-4-yl]phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCN(C)CC1=CC=C(C=C1)CN2C3=NC(=NC(=C3NC2=O)N)OCCOC

DOS

IR

Vibrations