Geometry & MOs

Info

ID:	162135
PubChem CID:	57393733
Reduced:	SN4O4C26H34 (1)
Stoich.:	AB4C4D26E34 (1)
Weight, g/mol:	566.292677
ΔH_f, kcal/mol:	-158.37
Dipole, Da:	9.07
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea

Drug info:

PubChemData

Smile

CC1(CC2(CCCN(C2)C3CCN(CC3)C(=O)C4=C(SC5=CC=CC=C54)NC(=O)NC)C(=O)O1)C

DOS

IR

Vibrations