Geometry & MOs

Info

ID:	186911
PubChem CID:	77504582
Reduced:	SO4N5C25H33 (1)
Stoich.:	AB4C5D25E33 (1)
Weight, g/mol:	398.214033
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	12.24
IP(EA), eV:	-8.38(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-2-[4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C2C1=NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC=C)C

DOS

IR

Vibrations