Geometry & MOs

Info

ID:	398851
PubChem CID:	135035762
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	376.056775
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	2.3
IP(EA), eV:	-9.02(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,1R)-1-(2,3-dichlorophenyl)-4-phenylbut-3-enyl]-4,5-dihydro-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1CCC23CCCN(C4CC[C@]2(O4)CCC3C1)O

DOS

IR

Vibrations