Geometry & MOs

Info

ID:	308448
PubChem CID:	125333123
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	349.101561
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	1.02
IP(EA), eV:	-8.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-chloro-N-[2-(2H-indol-3-yl)ethyl]-5-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1CC(=O)N2[C@@H](C1=O)CC3=C4C=CC=CC4=N[C@H]3[C@H]2C5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations