Geometry & MOs

Info

ID:	170717
PubChem CID:	75271126
Reduced:	SO2N4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	468.255898
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	8.15
IP(EA), eV:	-8.63(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-[7-(2-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2CCCN(C2)C3NC4C(C(=O)N3)SC=C4C5=CC=CC=C5C

DOS

IR

Vibrations