Geometry & MOs

Info

ID:	32631
PubChem CID:	7847009
Reduced:	NSO2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	1.35
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1COC(=O)CCC2=NC3=CC=CC=C3S2)C)C(C)(C)C

DOS

IR

Vibrations