Geometry & MOs

Info

ID:	244614
PubChem CID:	99368242
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	7.37
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)N(C)CC1=CN=CC=C1)SC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations