Geometry & MOs

Info

ID:	429355
PubChem CID:	135169368
Reduced:	N4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	457.178376
ΔH_f, kcal/mol:	90.61
Dipole, Da:	2.85
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-[[(2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]pyridin-2-yl]-3-methylurea

Drug info:

PubChemData

Smile

CC1=CC2=C(NC=C2C3=CC4=CC(=CN=C4C=C3)N)N=C1

DOS

IR

Vibrations