Geometry & MOs

Info

ID:	68391
PubChem CID:	46508325
Reduced:	SN2O4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	2.72
IP(EA), eV:	-8.44(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC(=O)N(C3CCCC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations