Geometry & MOs

Info

ID:	391734
PubChem CID:	135009064
Reduced:	NPC15H18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	457.141318
ΔH_f, kcal/mol:	18.87
Dipole, Da:	2.62
IP(EA), eV:	-8.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexylbutanethioamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](P1C2=CC=CC3=C2N=CC=C3)C

DOS

IR

Vibrations