Geometry & MOs

Info

ID:	444627
PubChem CID:	135263042
Reduced:	SN3O4C30H35 (1)
Stoich.:	AB3C4D30E35 (1)
Weight, g/mol:	448.204531
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	7.12
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(CN(C5)S(=O)(=O)C)C=C4)N6CCCC6

DOS

IR

Vibrations