Geometry & MOs

Info

ID:	74063
PubChem CID:	48421411
Reduced:	BrON5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	87.13
Dipole, Da:	1.19
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-3-phenylmethoxypropyl)-1-methyl-3-(4-phenyl-1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)NC(=O)NC3=C(N=CC=C3)N4C=CC=N4

DOS

IR

Vibrations