Geometry & MOs

Info

ID:	306167
PubChem CID:	125001922
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	448.204531
ΔH_f, kcal/mol:	-79.26
Dipole, Da:	6.34
IP(EA), eV:	-9.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-yl]-5-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC=CC(=C1)[C@H]2CCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations