Geometry & MOs

Info

ID:	427997
PubChem CID:	135165662
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	320.01941
ΔH_f, kcal/mol:	24.89
Dipole, Da:	2.55
IP(EA), eV:	-8.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2-bromo-5-ethyl-1,3-thiazol-4-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CNC1=CC=CC(=C1O)C2=C(C(=CC=C2)NC(=O)C3=NC4=C(N3C)CCN(C4)C)C#N

DOS

IR

Vibrations