Geometry & MOs

Info

ID:	31849
PubChem CID:	3720898
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	471.128649
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	7.93
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C(=C1O)CN3CCCCCC3)OC(=C(C2=O)C4=NC5=CC=CC=C5N4C)C

DOS

IR

Vibrations