Geometry & MOs

Info

ID:	32594
PubChem CID:	7846940
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	373.11365
ΔH_f, kcal/mol:	-114.22
Dipole, Da:	4.33
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations