Geometry & MOs

Info

ID:	57686
PubChem CID:	22433334
Reduced:	BrOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	431.03031
ΔH_f, kcal/mol:	2.97
Dipole, Da:	2.13
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-ethyl-3-(4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CCC(=O)N(CC)C1=NC(=CS1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations